N-[(1-tert-butylpyrrolidin-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine

C17H35N3 — CID 58858763

IUPACN-[(1-tert-butylpyrrolidin-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine
SMILESCC(C)(C)N1CCCC1CNCCCN1CCCCC1
InChIInChI=1S/C17H35N3/c1-17(2,3)20-14-7-9-16(20)15-18-10-8-13-19-11-5-4-6-12-19/h16,18H,4-15H2,1-3H3
InChIKeyQQKYYRVXOYJCAL-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.71
Rot. Bonds6

About N-[(1-tert-butylpyrrolidin-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine

N-[(1-tert-butylpyrrolidin-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine (PubChem CID 58858763) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is N-[(1-tert-butylpyrrolidin-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(1-tert-butylpyrrolidin-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine
PubChem CID58858763
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC NameN-[(1-tert-butylpyrrolidin-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine
SMILESCC(C)(C)N1CCCC1CNCCCN1CCCCC1
InChIInChI=1S/C17H35N3/c1-17(2,3)20-14-7-9-16(20)15-18-10-8-13-19-11-5-4-6-12-19/h16,18H,4-15H2,1-3H3
InChIKeyQQKYYRVXOYJCAL-UHFFFAOYSA-N
XLogP2.71
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(1-tert-butylpyrrolidin-2-yl)methyl]-3-piperidin-1-ylpropan-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

Related Compounds

N-[(1-ethylpyrrolidin-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 54961368
N-[(1-methylpiperidin-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 62655431
(1-tert-butylazepan-2-yl)methanol
CID 84660252
4-piperidin-1-yl-N-(3-piperidin-1-ylpropyl)butan-1-amine
CID 142273923
N-[(2,2-dimethylcyclopropyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 107001513
2-methoxy-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine
CID 104760546
2-methyl-1-(3-pyrrolidin-1-ylpropylamino)propan-2-ol
CID 62989599
N-ethyl-3-pyrrolidin-1-ylpropan-1-amine
CID 23440046
2,2-dimethyl-3-(3-piperidin-1-ylpropylamino)propan-1-ol
CID 81414181
3-cyclopropyl-N-[(1-methylpyrrolidin-2-yl)methyl]propan-1-amine
CID 102551343
3-pyrrolidin-1-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106636609
N'-[3-(2-methylpyrrolidin-1-yl)propyl]-N-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine
CID 143268112

Frequently Asked Questions

What is the IUPAC name of N-[(1-tert-butylpyrrolidin-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine?
The IUPAC name of N-[(1-tert-butylpyrrolidin-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine (CID 58858763) is N-[(1-tert-butylpyrrolidin-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine.
What is the SMILES notation for N-[(1-tert-butylpyrrolidin-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine?
The canonical SMILES for N-[(1-tert-butylpyrrolidin-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine is CC(C)(C)N1CCCC1CNCCCN1CCCCC1.
What is the InChIKey of N-[(1-tert-butylpyrrolidin-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine?
The InChIKey is QQKYYRVXOYJCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-17(2,3)20-14-7-9-16(20)15-18-10-8-13-19-11-5-4-6-12-19/h16,18H,4-15H2,1-3H3.
What are the key properties of N-[(1-tert-butylpyrrolidin-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine?
N-[(1-tert-butylpyrrolidin-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine has a molecular weight of 281.49 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-tert-butylpyrrolidin-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine is sourced from PubChem (CID 58858763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).