N-(cyclopentylmethyl)-N-methyl-2-(propylaminomethyl)pyridin-4-amine

C16H27N3 — CID 63656716

IUPACN-(cyclopentylmethyl)-N-methyl-2-(propylaminomethyl)pyridin-4-amine
SMILESCCCNCc1cc(N(C)CC2CCCC2)ccn1
InChIInChI=1S/C16H27N3/c1-3-9-17-12-15-11-16(8-10-18-15)19(2)13-14-6-4-5-7-14/h8,10-11,14,17H,3-7,9,12-13H2,1-2H3
InChIKeyUZWVYQNKKQVYTI-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.21
Rot. Bonds7

About N-(cyclopentylmethyl)-N-methyl-2-(propylaminomethyl)pyridin-4-amine

N-(cyclopentylmethyl)-N-methyl-2-(propylaminomethyl)pyridin-4-amine (PubChem CID 63656716) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-N-methyl-2-(propylaminomethyl)pyridin-4-amine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-N-methyl-2-(propylaminomethyl)pyridin-4-amine
PubChem CID63656716
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-(cyclopentylmethyl)-N-methyl-2-(propylaminomethyl)pyridin-4-amine
SMILESCCCNCc1cc(N(C)CC2CCCC2)ccn1
InChIInChI=1S/C16H27N3/c1-3-9-17-12-15-11-16(8-10-18-15)19(2)13-14-6-4-5-7-14/h8,10-11,14,17H,3-7,9,12-13H2,1-2H3
InChIKeyUZWVYQNKKQVYTI-UHFFFAOYSA-N
XLogP3.21
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.21
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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Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-N-methyl-2-(propylaminomethyl)pyridin-4-amine?
The IUPAC name of N-(cyclopentylmethyl)-N-methyl-2-(propylaminomethyl)pyridin-4-amine (CID 63656716) is N-(cyclopentylmethyl)-N-methyl-2-(propylaminomethyl)pyridin-4-amine.
What is the SMILES notation for N-(cyclopentylmethyl)-N-methyl-2-(propylaminomethyl)pyridin-4-amine?
The canonical SMILES for N-(cyclopentylmethyl)-N-methyl-2-(propylaminomethyl)pyridin-4-amine is CCCNCc1cc(N(C)CC2CCCC2)ccn1.
What is the InChIKey of N-(cyclopentylmethyl)-N-methyl-2-(propylaminomethyl)pyridin-4-amine?
The InChIKey is UZWVYQNKKQVYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-3-9-17-12-15-11-16(8-10-18-15)19(2)13-14-6-4-5-7-14/h8,10-11,14,17H,3-7,9,12-13H2,1-2H3.
What are the key properties of N-(cyclopentylmethyl)-N-methyl-2-(propylaminomethyl)pyridin-4-amine?
N-(cyclopentylmethyl)-N-methyl-2-(propylaminomethyl)pyridin-4-amine has a molecular weight of 261.41 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-N-methyl-2-(propylaminomethyl)pyridin-4-amine is sourced from PubChem (CID 63656716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).