N-[1-(1-tert-butylpyrrolidin-3-yl)ethyl]cyclopentanamine;N-[1-(1-tert-butylpyrrolidin-3-yl)ethyl]cyclopropanamine;N-[(1-tert-butylpyrrolidin-3-yl)methyl]cyclopropanamine;1-(1-tert-butylpyrrolidin-3-yl)-N-methylpropan-1-amine

C52H106N8 — CID 159057357

IUPACN-[1-(1-tert-butylpyrrolidin-3-yl)ethyl]cyclopentanamine;N-[1-(1-tert-butylpyrrolidin-3-yl)ethyl]cyclopropanamine;N-[(1-tert-butylpyrrolidin-3-yl)methyl]cyclopropanamine;1-(1-tert-butylpyrrolidin-3-yl)-N-methylpropan-1-amine
SMILESCC(C)(C)N1CCC(CNC2CC2)C1.CC(NC1CC1)C1CCN(C(C)(C)C)C1.CC(NC1CCCC1)C1CCN(C(C)(C)C)C1.CCC(NC)C1CCN(C(C)(C)C)C1
InChIInChI=1S/C15H30N2.C13H26N2.C12H24N2.C12H26N2/c1-12(16-14-7-5-6-8-14)13-9-10-17(11-13)15(2,3)4;1-10(14-12-5-6-12)11-7-8-15(9-11)13(2,3)4;1-12(2,3)14-7-6-10(9-14)8-13-11-4-5-11;1-6-11(13-5)10-7-8-14(9-10)12(2,3)4/h12-14,16H,5-11H2,1-4H3;10-12,14H,5-9H2,1-4H3;10-11,13H,4-9H2,1-3H3;10-11,13H,6-9H2,1-5H3
InChIKeyJYAFQEQMAICDPC-UHFFFAOYSA-N
MW843.48 g/mol
LogP9.24
Rot. Bonds12

About N-[1-(1-tert-butylpyrrolidin-3-yl)ethyl]cyclopentanamine;N-[1-(1-tert-butylpyrrolidin-3-yl)ethyl]cyclopropanamine;N-[(1-tert-butylpyrrolidin-3-yl)methyl]cyclopropanamine;1-(1-tert-butylpyrrolidin-3-yl)-N-methylpropan-1-amine

N-[1-(1-tert-butylpyrrolidin-3-yl)ethyl]cyclopentanamine;N-[1-(1-tert-butylpyrrolidin-3-yl)ethyl]cyclopropanamine;N-[(1-tert-butylpyrrolidin-3-yl)methyl]cyclopropanamine;1-(1-tert-butylpyrrolidin-3-yl)-N-methylpropan-1-amine (PubChem CID 159057357) has the molecular formula C52H106N8 and a molecular weight of 843.48 g/mol. Its IUPAC name is N-[1-(1-tert-butylpyrrolidin-3-yl)ethyl]cyclopentanamine;N-[1-(1-tert-butylpyrrolidin-3-yl)ethyl]cyclopropanamine;N-[(1-tert-butylpyrrolidin-3-yl)methyl]cyclopropanamine;1-(1-tert-butylpyrrolidin-3-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(1-tert-butylpyrrolidin-3-yl)ethyl]cyclopentanamine;N-[1-(1-tert-butylpyrrolidin-3-yl)ethyl]cyclopropanamine;N-[(1-tert-butylpyrrolidin-3-yl)methyl]cyclopropanamine;1-(1-tert-butylpyrrolidin-3-yl)-N-methylpropan-1-amine
PubChem CID159057357
Molecular FormulaC52H106N8
Molecular Weight843.48 g/mol
Exact Mass842.85
IUPAC NameN-[1-(1-tert-butylpyrrolidin-3-yl)ethyl]cyclopentanamine;N-[1-(1-tert-butylpyrrolidin-3-yl)ethyl]cyclopropanamine;N-[(1-tert-butylpyrrolidin-3-yl)methyl]cyclopropanamine;1-(1-tert-butylpyrrolidin-3-yl)-N-methylpropan-1-amine
SMILESCC(C)(C)N1CCC(CNC2CC2)C1.CC(NC1CC1)C1CCN(C(C)(C)C)C1.CC(NC1CCCC1)C1CCN(C(C)(C)C)C1.CCC(NC)C1CCN(C(C)(C)C)C1
InChIInChI=1S/C15H30N2.C13H26N2.C12H24N2.C12H26N2/c1-12(16-14-7-5-6-8-14)13-9-10-17(11-13)15(2,3)4;1-10(14-12-5-6-12)11-7-8-15(9-11)13(2,3)4;1-12(2,3)14-7-6-10(9-14)8-13-11-4-5-11;1-6-11(13-5)10-7-8-14(9-10)12(2,3)4/h12-14,16H,5-11H2,1-4H3;10-12,14H,5-9H2,1-4H3;10-11,13H,4-9H2,1-3H3;10-11,13H,6-9H2,1-5H3
InChIKeyJYAFQEQMAICDPC-UHFFFAOYSA-N
XLogP9.24
TPSA61.08 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500843.48
LogP ≤ 59.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze N-[1-(1-tert-butylpyrrolidin-3-yl)ethyl]cyclopentanamine;N-[1-(1-tert-butylpyrrolidin-3-yl)ethyl]cyclopropanamine;N-[(1-tert-butylpyrrolidin-3-yl)methyl]cyclopropanamine;1-(1-tert-butylpyrrolidin-3-yl)-N-methylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-tert-butylpyrrolidin-3-yl)ethyl]cyclopentanamine;N-[1-(1-tert-butylpyrrolidin-3-yl)ethyl]cyclopropanamine;N-[(1-tert-butylpyrrolidin-3-yl)methyl]cyclopropanamine;1-(1-tert-butylpyrrolidin-3-yl)-N-methylpropan-1-amine?
The IUPAC name of N-[1-(1-tert-butylpyrrolidin-3-yl)ethyl]cyclopentanamine;N-[1-(1-tert-butylpyrrolidin-3-yl)ethyl]cyclopropanamine;N-[(1-tert-butylpyrrolidin-3-yl)methyl]cyclopropanamine;1-(1-tert-butylpyrrolidin-3-yl)-N-methylpropan-1-amine (CID 159057357) is N-[1-(1-tert-butylpyrrolidin-3-yl)ethyl]cyclopentanamine;N-[1-(1-tert-butylpyrrolidin-3-yl)ethyl]cyclopropanamine;N-[(1-tert-butylpyrrolidin-3-yl)methyl]cyclopropanamine;1-(1-tert-butylpyrrolidin-3-yl)-N-methylpropan-1-amine.
What is the SMILES notation for N-[1-(1-tert-butylpyrrolidin-3-yl)ethyl]cyclopentanamine;N-[1-(1-tert-butylpyrrolidin-3-yl)ethyl]cyclopropanamine;N-[(1-tert-butylpyrrolidin-3-yl)methyl]cyclopropanamine;1-(1-tert-butylpyrrolidin-3-yl)-N-methylpropan-1-amine?
The canonical SMILES for N-[1-(1-tert-butylpyrrolidin-3-yl)ethyl]cyclopentanamine;N-[1-(1-tert-butylpyrrolidin-3-yl)ethyl]cyclopropanamine;N-[(1-tert-butylpyrrolidin-3-yl)methyl]cyclopropanamine;1-(1-tert-butylpyrrolidin-3-yl)-N-methylpropan-1-amine is CC(C)(C)N1CCC(CNC2CC2)C1.CC(NC1CC1)C1CCN(C(C)(C)C)C1.CC(NC1CCCC1)C1CCN(C(C)(C)C)C1.CCC(NC)C1CCN(C(C)(C)C)C1.
What is the InChIKey of N-[1-(1-tert-butylpyrrolidin-3-yl)ethyl]cyclopentanamine;N-[1-(1-tert-butylpyrrolidin-3-yl)ethyl]cyclopropanamine;N-[(1-tert-butylpyrrolidin-3-yl)methyl]cyclopropanamine;1-(1-tert-butylpyrrolidin-3-yl)-N-methylpropan-1-amine?
The InChIKey is JYAFQEQMAICDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2.C13H26N2.C12H24N2.C12H26N2/c1-12(16-14-7-5-6-8-14)13-9-10-17(11-13)15(2,3)4;1-10(14-12-5-6-12)11-7-8-15(9-11)13(2,3)4;1-12(2,3)14-7-6-10(9-14)8-13-11-4-5-11;1-6-11(13-5)10-7-8-14(9-10)12(2,3)4/h12-14,16H,5-11H2,1-4H3;10-12,14H,5-9H2,1-4H3;10-11,13H,4-9H2,1-3H3;10-11,13H,6-9H2,1-5H3.
What are the key properties of N-[1-(1-tert-butylpyrrolidin-3-yl)ethyl]cyclopentanamine;N-[1-(1-tert-butylpyrrolidin-3-yl)ethyl]cyclopropanamine;N-[(1-tert-butylpyrrolidin-3-yl)methyl]cyclopropanamine;1-(1-tert-butylpyrrolidin-3-yl)-N-methylpropan-1-amine?
N-[1-(1-tert-butylpyrrolidin-3-yl)ethyl]cyclopentanamine;N-[1-(1-tert-butylpyrrolidin-3-yl)ethyl]cyclopropanamine;N-[(1-tert-butylpyrrolidin-3-yl)methyl]cyclopropanamine;1-(1-tert-butylpyrrolidin-3-yl)-N-methylpropan-1-amine has a molecular weight of 843.48 g/mol, XLogP of 9.24, 12 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-tert-butylpyrrolidin-3-yl)ethyl]cyclopentanamine;N-[1-(1-tert-butylpyrrolidin-3-yl)ethyl]cyclopropanamine;N-[(1-tert-butylpyrrolidin-3-yl)methyl]cyclopropanamine;1-(1-tert-butylpyrrolidin-3-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 159057357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).