N-[[1-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]cycloheptyl]methyl]propan-2-amine

C19H38N2 — CID 83220137

IUPACN-[[1-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]cycloheptyl]methyl]propan-2-amine
SMILESCCC1CCC(C)N1CC1(CNC(C)C)CCCCCC1
InChIInChI=1S/C19H38N2/c1-5-18-11-10-17(4)21(18)15-19(14-20-16(2)3)12-8-6-7-9-13-19/h16-18,20H,5-15H2,1-4H3
InChIKeyPWOJZUPCSBVSLW-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.59
Rot. Bonds6

About N-[[1-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]cycloheptyl]methyl]propan-2-amine

N-[[1-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]cycloheptyl]methyl]propan-2-amine (PubChem CID 83220137) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is N-[[1-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]cycloheptyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]cycloheptyl]methyl]propan-2-amine
PubChem CID83220137
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC NameN-[[1-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]cycloheptyl]methyl]propan-2-amine
SMILESCCC1CCC(C)N1CC1(CNC(C)C)CCCCCC1
InChIInChI=1S/C19H38N2/c1-5-18-11-10-17(4)21(18)15-19(14-20-16(2)3)12-8-6-7-9-13-19/h16-18,20H,5-15H2,1-4H3
InChIKeyPWOJZUPCSBVSLW-UHFFFAOYSA-N
XLogP4.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]cycloheptyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]cycloheptyl]methyl]propan-2-amine (CID 83220137) is N-[[1-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]cycloheptyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]cycloheptyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]cycloheptyl]methyl]propan-2-amine is CCC1CCC(C)N1CC1(CNC(C)C)CCCCCC1.
What is the InChIKey of N-[[1-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]cycloheptyl]methyl]propan-2-amine?
The InChIKey is PWOJZUPCSBVSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-5-18-11-10-17(4)21(18)15-19(14-20-16(2)3)12-8-6-7-9-13-19/h16-18,20H,5-15H2,1-4H3.
What are the key properties of N-[[1-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]cycloheptyl]methyl]propan-2-amine?
N-[[1-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]cycloheptyl]methyl]propan-2-amine has a molecular weight of 294.53 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]cycloheptyl]methyl]propan-2-amine is sourced from PubChem (CID 83220137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).