2,2-dimethyl-N-(pyridin-3-ylmethyl)pentan-3-amine;hydrochloride

C13H23ClN2 — CID 115616065

IUPAC2,2-dimethyl-N-(pyridin-3-ylmethyl)pentan-3-amine;hydrochloride
SMILESCCC(NCc1cccnc1)C(C)(C)C.Cl
InChIInChI=1S/C13H22N2.ClH/c1-5-12(13(2,3)4)15-10-11-7-6-8-14-9-11;/h6-9,12,15H,5,10H2,1-4H3;1H
InChIKeyIPXVAHBTNNVEAU-UHFFFAOYSA-N
MW242.79 g/mol
LogP3.42
Rot. Bonds4

About 2,2-dimethyl-N-(pyridin-3-ylmethyl)pentan-3-amine;hydrochloride

2,2-dimethyl-N-(pyridin-3-ylmethyl)pentan-3-amine;hydrochloride (PubChem CID 115616065) has the molecular formula C13H23ClN2 and a molecular weight of 242.79 g/mol. Its IUPAC name is 2,2-dimethyl-N-(pyridin-3-ylmethyl)pentan-3-amine;hydrochloride.

Molecular Properties

Compound Name2,2-dimethyl-N-(pyridin-3-ylmethyl)pentan-3-amine;hydrochloride
PubChem CID115616065
Molecular FormulaC13H23ClN2
Molecular Weight242.79 g/mol
Exact Mass242.15
IUPAC Name2,2-dimethyl-N-(pyridin-3-ylmethyl)pentan-3-amine;hydrochloride
SMILESCCC(NCc1cccnc1)C(C)(C)C.Cl
InChIInChI=1S/C13H22N2.ClH/c1-5-12(13(2,3)4)15-10-11-7-6-8-14-9-11;/h6-9,12,15H,5,10H2,1-4H3;1H
InChIKeyIPXVAHBTNNVEAU-UHFFFAOYSA-N
XLogP3.42
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.79
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-3-methyl-N-(pyridin-3-ylmethyl)pentan-2-amine
CID 28672035
N-(pyridin-3-ylmethyl)heptan-4-amine
CID 28671703
5-methyl-N-(pyridin-3-ylmethyl)heptan-3-amine
CID 43204922
N-methyl-1-pyridin-3-ylmethanamine;hydrochloride
CID 17290665
(2R)-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine
CID 104868129
2-methyl-1-phenyl-N-(pyridin-3-ylmethyl)propan-1-amine
CID 43225601
2-(4-tert-butylphenyl)-2-(pyridin-3-ylmethylamino)acetonitrile
CID 82019992
1-(furan-2-yl)-N-(pyridin-3-ylmethyl)propan-1-amine
CID 62633957
2,4,4-trimethyl-N-(pyridin-3-ylmethyl)pentan-2-amine;hydrochloride
CID 6463081
2,3-dimethyl-1-(pyridin-3-ylmethylamino)pentan-2-ol
CID 111118943
1-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)butan-1-amine
CID 43204940
4-chloro-N-(pyridin-3-ylmethyl)butan-2-amine
CID 83187736

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(pyridin-3-ylmethyl)pentan-3-amine;hydrochloride?
The IUPAC name of 2,2-dimethyl-N-(pyridin-3-ylmethyl)pentan-3-amine;hydrochloride (CID 115616065) is 2,2-dimethyl-N-(pyridin-3-ylmethyl)pentan-3-amine;hydrochloride.
What is the SMILES notation for 2,2-dimethyl-N-(pyridin-3-ylmethyl)pentan-3-amine;hydrochloride?
The canonical SMILES for 2,2-dimethyl-N-(pyridin-3-ylmethyl)pentan-3-amine;hydrochloride is CCC(NCc1cccnc1)C(C)(C)C.Cl.
What is the InChIKey of 2,2-dimethyl-N-(pyridin-3-ylmethyl)pentan-3-amine;hydrochloride?
The InChIKey is IPXVAHBTNNVEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2.ClH/c1-5-12(13(2,3)4)15-10-11-7-6-8-14-9-11;/h6-9,12,15H,5,10H2,1-4H3;1H.
What are the key properties of 2,2-dimethyl-N-(pyridin-3-ylmethyl)pentan-3-amine;hydrochloride?
2,2-dimethyl-N-(pyridin-3-ylmethyl)pentan-3-amine;hydrochloride has a molecular weight of 242.79 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(pyridin-3-ylmethyl)pentan-3-amine;hydrochloride is sourced from PubChem (CID 115616065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).