N-cyclopentyl-3-(methylaminomethyl)-N-(3-methylbutyl)pyridin-4-amine

C17H29N3 — CID 81247339

IUPACN-cyclopentyl-3-(methylaminomethyl)-N-(3-methylbutyl)pyridin-4-amine
SMILESCNCc1cnccc1N(CCC(C)C)C1CCCC1
InChIInChI=1S/C17H29N3/c1-14(2)9-11-20(16-6-4-5-7-16)17-8-10-19-13-15(17)12-18-3/h8,10,13-14,16,18H,4-7,9,11-12H2,1-3H3
InChIKeyFRRHJEILOXWOML-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.60
Rot. Bonds7

About N-cyclopentyl-3-(methylaminomethyl)-N-(3-methylbutyl)pyridin-4-amine

N-cyclopentyl-3-(methylaminomethyl)-N-(3-methylbutyl)pyridin-4-amine (PubChem CID 81247339) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-cyclopentyl-3-(methylaminomethyl)-N-(3-methylbutyl)pyridin-4-amine.

Molecular Properties

Compound NameN-cyclopentyl-3-(methylaminomethyl)-N-(3-methylbutyl)pyridin-4-amine
PubChem CID81247339
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN-cyclopentyl-3-(methylaminomethyl)-N-(3-methylbutyl)pyridin-4-amine
SMILESCNCc1cnccc1N(CCC(C)C)C1CCCC1
InChIInChI=1S/C17H29N3/c1-14(2)9-11-20(16-6-4-5-7-16)17-8-10-19-13-15(17)12-18-3/h8,10,13-14,16,18H,4-7,9,11-12H2,1-3H3
InChIKeyFRRHJEILOXWOML-UHFFFAOYSA-N
XLogP3.60
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-N-methyl-3-(methylaminomethyl)pyridin-4-amine
CID 81247152
N-cyclohexyl-N-methyl-3-(methylaminomethyl)pyridin-4-amine
CID 81249487
N-butyl-N-cyclopropyl-3-(methylaminomethyl)pyridin-4-amine
CID 81246740
N-cyclopropyl-3-[(cyclopropylamino)methyl]-N-(2-methylpropyl)pyridin-4-amine
CID 81246811
3-(methylaminomethyl)-N-(2-methylpropyl)-N-propan-2-ylpyridin-4-amine
CID 81246316
N-cyclopentyl-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81248504
N-cyclopropyl-3-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-4-amine
CID 81247478
5-N-cyclopentyl-3-N-methyl-5-N-(3-methylbutyl)pyridine-3,5-diamine
CID 104535326
3-[(tert-butylamino)methyl]-N-cyclohexyl-N-methylpyridin-4-amine
CID 81249277
2-(bromomethyl)-N-cyclopentyl-4-fluoro-N-(3-methylbutyl)aniline
CID 107084629
N-cyclopropyl-N-(cyclopropylmethyl)-4-(methylaminomethyl)pyridin-3-amine
CID 105074049
N-cycloheptyl-N-methyl-3-(propylaminomethyl)pyridin-4-amine
CID 81247077

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-(methylaminomethyl)-N-(3-methylbutyl)pyridin-4-amine?
The IUPAC name of N-cyclopentyl-3-(methylaminomethyl)-N-(3-methylbutyl)pyridin-4-amine (CID 81247339) is N-cyclopentyl-3-(methylaminomethyl)-N-(3-methylbutyl)pyridin-4-amine.
What is the SMILES notation for N-cyclopentyl-3-(methylaminomethyl)-N-(3-methylbutyl)pyridin-4-amine?
The canonical SMILES for N-cyclopentyl-3-(methylaminomethyl)-N-(3-methylbutyl)pyridin-4-amine is CNCc1cnccc1N(CCC(C)C)C1CCCC1.
What is the InChIKey of N-cyclopentyl-3-(methylaminomethyl)-N-(3-methylbutyl)pyridin-4-amine?
The InChIKey is FRRHJEILOXWOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-14(2)9-11-20(16-6-4-5-7-16)17-8-10-19-13-15(17)12-18-3/h8,10,13-14,16,18H,4-7,9,11-12H2,1-3H3.
What are the key properties of N-cyclopentyl-3-(methylaminomethyl)-N-(3-methylbutyl)pyridin-4-amine?
N-cyclopentyl-3-(methylaminomethyl)-N-(3-methylbutyl)pyridin-4-amine has a molecular weight of 275.44 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-(methylaminomethyl)-N-(3-methylbutyl)pyridin-4-amine is sourced from PubChem (CID 81247339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).