4-(aminomethyl)-N,N-dicyclopentylpyridin-3-amine;dihydrochloride

C16H27Cl2N3 — CID 45263151

IUPAC4-(aminomethyl)-N,N-dicyclopentylpyridin-3-amine;dihydrochloride
SMILESCl.Cl.NCc1ccncc1N(C1CCCC1)C1CCCC1
InChIInChI=1S/C16H25N3.2ClH/c17-11-13-9-10-18-12-16(13)19(14-5-1-2-6-14)15-7-3-4-8-15;;/h9-10,12,14-15H,1-8,11,17H2;2*1H
InChIKeyDKIRVLAKYJAOJV-UHFFFAOYSA-N
MW332.32 g/mol
LogP4.08
Rot. Bonds4

About 4-(aminomethyl)-N,N-dicyclopentylpyridin-3-amine;dihydrochloride

4-(aminomethyl)-N,N-dicyclopentylpyridin-3-amine;dihydrochloride (PubChem CID 45263151) has the molecular formula C16H27Cl2N3 and a molecular weight of 332.32 g/mol. Its IUPAC name is 4-(aminomethyl)-N,N-dicyclopentylpyridin-3-amine;dihydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N,N-dicyclopentylpyridin-3-amine;dihydrochloride
PubChem CID45263151
Molecular FormulaC16H27Cl2N3
Molecular Weight332.32 g/mol
Exact Mass331.16
IUPAC Name4-(aminomethyl)-N,N-dicyclopentylpyridin-3-amine;dihydrochloride
SMILESCl.Cl.NCc1ccncc1N(C1CCCC1)C1CCCC1
InChIInChI=1S/C16H25N3.2ClH/c17-11-13-9-10-18-12-16(13)19(14-5-1-2-6-14)15-7-3-4-8-15;;/h9-10,12,14-15H,1-8,11,17H2;2*1H
InChIKeyDKIRVLAKYJAOJV-UHFFFAOYSA-N
XLogP4.08
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(chloromethyl)-N-cyclopentyl-N-methylpyridin-3-amine
CID 105067287
[3-(aminomethyl)-4-pyridinyl]methanamine;dihydrochloride
CID 66524168
(4-cyclobutyl-3-pyridinyl)methanamine
CID 83914283
N-cyclobutyl-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine
CID 105074523
(3-bromo-4-pyridinyl)methanamine;dihydrochloride
CID 119081459
N'-(3-chloro-4-pyridinyl)-N'-cyclohexylethane-1,2-diamine
CID 79840472
N-cyclobutyl-4-(ethylaminomethyl)-N-methylpyridin-3-amine
CID 105074525
N-cyclopentyl-N-ethyl-4-(propylaminomethyl)pyridin-3-amine
CID 105072971
4-[(tert-butylamino)methyl]-N-cyclopentyl-N-ethylpyridin-3-amine
CID 105072970
[4-(oxan-2-yl)-3-pyridinyl]methanamine
CID 115019133
[3-[cyclopropyl(methyl)amino]-4-pyridinyl]methanol
CID 105066695
4-(aminomethyl)pyridin-3-ol
CID 15850356

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N,N-dicyclopentylpyridin-3-amine;dihydrochloride?
The IUPAC name of 4-(aminomethyl)-N,N-dicyclopentylpyridin-3-amine;dihydrochloride (CID 45263151) is 4-(aminomethyl)-N,N-dicyclopentylpyridin-3-amine;dihydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N,N-dicyclopentylpyridin-3-amine;dihydrochloride?
The canonical SMILES for 4-(aminomethyl)-N,N-dicyclopentylpyridin-3-amine;dihydrochloride is Cl.Cl.NCc1ccncc1N(C1CCCC1)C1CCCC1.
What is the InChIKey of 4-(aminomethyl)-N,N-dicyclopentylpyridin-3-amine;dihydrochloride?
The InChIKey is DKIRVLAKYJAOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3.2ClH/c17-11-13-9-10-18-12-16(13)19(14-5-1-2-6-14)15-7-3-4-8-15;;/h9-10,12,14-15H,1-8,11,17H2;2*1H.
What are the key properties of 4-(aminomethyl)-N,N-dicyclopentylpyridin-3-amine;dihydrochloride?
4-(aminomethyl)-N,N-dicyclopentylpyridin-3-amine;dihydrochloride has a molecular weight of 332.32 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N,N-dicyclopentylpyridin-3-amine;dihydrochloride is sourced from PubChem (CID 45263151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).