N-[[1-(3-pyrrolidin-1-ylpropyl)piperidin-3-yl]methyl]propan-1-amine

C16H33N3 — CID 62582031

IUPACN-[[1-(3-pyrrolidin-1-ylpropyl)piperidin-3-yl]methyl]propan-1-amine
SMILESCCCNCC1CCCN(CCCN2CCCC2)C1
InChIInChI=1S/C16H33N3/c1-2-8-17-14-16-7-5-11-19(15-16)13-6-12-18-9-3-4-10-18/h16-17H,2-15H2,1H3
InChIKeyAMCQZPRYYAFXIK-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.18
Rot. Bonds8

About N-[[1-(3-pyrrolidin-1-ylpropyl)piperidin-3-yl]methyl]propan-1-amine

N-[[1-(3-pyrrolidin-1-ylpropyl)piperidin-3-yl]methyl]propan-1-amine (PubChem CID 62582031) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is N-[[1-(3-pyrrolidin-1-ylpropyl)piperidin-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(3-pyrrolidin-1-ylpropyl)piperidin-3-yl]methyl]propan-1-amine
PubChem CID62582031
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC NameN-[[1-(3-pyrrolidin-1-ylpropyl)piperidin-3-yl]methyl]propan-1-amine
SMILESCCCNCC1CCCN(CCCN2CCCC2)C1
InChIInChI=1S/C16H33N3/c1-2-8-17-14-16-7-5-11-19(15-16)13-6-12-18-9-3-4-10-18/h16-17H,2-15H2,1H3
InChIKeyAMCQZPRYYAFXIK-UHFFFAOYSA-N
XLogP2.18
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-decylpiperidin-3-yl)methyl]propan-1-amine
CID 63528370
N-methyl-4-[3-(propylaminomethyl)piperidin-1-yl]butanamide
CID 63890612
N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]propan-1-amine
CID 62581675
N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-3-yl]methyl]propan-1-amine
CID 107912651
2,2-dimethyl-5-[3-(propylaminomethyl)piperidin-1-yl]pentanenitrile
CID 65254674
N-[[1-[2-(2-methylpropoxy)ethyl]piperidin-3-yl]methyl]propan-1-amine
CID 106453494
N-[[1-(3-pyrrolidin-1-ylpropyl)piperidin-3-yl]methyl]propan-2-amine
CID 62581880
2,2-dimethyl-4-[3-(propylaminomethyl)piperidin-1-yl]butanenitrile
CID 65252040
N-[[1-[2-(oxolan-2-yl)ethyl]piperidin-3-yl]methyl]propan-1-amine
CID 65161038
N-[[1-(3-ethoxypropyl)piperidin-3-yl]methyl]-2-methoxyethanamine
CID 65175473
5-[3-(ethylaminomethyl)piperidin-1-yl]pentan-1-ol
CID 63848813
1-[2-[3-(propylaminomethyl)piperidin-1-yl]ethyl]pyridin-2-one
CID 82896565

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-pyrrolidin-1-ylpropyl)piperidin-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(3-pyrrolidin-1-ylpropyl)piperidin-3-yl]methyl]propan-1-amine (CID 62582031) is N-[[1-(3-pyrrolidin-1-ylpropyl)piperidin-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(3-pyrrolidin-1-ylpropyl)piperidin-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(3-pyrrolidin-1-ylpropyl)piperidin-3-yl]methyl]propan-1-amine is CCCNCC1CCCN(CCCN2CCCC2)C1.
What is the InChIKey of N-[[1-(3-pyrrolidin-1-ylpropyl)piperidin-3-yl]methyl]propan-1-amine?
The InChIKey is AMCQZPRYYAFXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-2-8-17-14-16-7-5-11-19(15-16)13-6-12-18-9-3-4-10-18/h16-17H,2-15H2,1H3.
What are the key properties of N-[[1-(3-pyrrolidin-1-ylpropyl)piperidin-3-yl]methyl]propan-1-amine?
N-[[1-(3-pyrrolidin-1-ylpropyl)piperidin-3-yl]methyl]propan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 2.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-pyrrolidin-1-ylpropyl)piperidin-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 62582031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).