2,4,4-trimethyl-N-(pyridin-3-ylmethyl)pentan-2-amine;hydrochloride

C14H25ClN2 — CID 6463081

IUPAC2,4,4-trimethyl-N-(pyridin-3-ylmethyl)pentan-2-amine;hydrochloride
SMILESCC(C)(C)CC(C)(C)NCc1cccnc1.Cl
InChIInChI=1S/C14H24N2.ClH/c1-13(2,3)11-14(4,5)16-10-12-7-6-8-15-9-12;/h6-9,16H,10-11H2,1-5H3;1H
InChIKeyITRZHNAXNZFXEU-UHFFFAOYSA-N
MW256.82 g/mol
LogP3.81
Rot. Bonds4

About 2,4,4-trimethyl-N-(pyridin-3-ylmethyl)pentan-2-amine;hydrochloride

2,4,4-trimethyl-N-(pyridin-3-ylmethyl)pentan-2-amine;hydrochloride (PubChem CID 6463081) has the molecular formula C14H25ClN2 and a molecular weight of 256.82 g/mol. Its IUPAC name is 2,4,4-trimethyl-N-(pyridin-3-ylmethyl)pentan-2-amine;hydrochloride.

Molecular Properties

Compound Name2,4,4-trimethyl-N-(pyridin-3-ylmethyl)pentan-2-amine;hydrochloride
PubChem CID6463081
Molecular FormulaC14H25ClN2
Molecular Weight256.82 g/mol
Exact Mass256.17
IUPAC Name2,4,4-trimethyl-N-(pyridin-3-ylmethyl)pentan-2-amine;hydrochloride
SMILESCC(C)(C)CC(C)(C)NCc1cccnc1.Cl
InChIInChI=1S/C14H24N2.ClH/c1-13(2,3)11-14(4,5)16-10-12-7-6-8-15-9-12;/h6-9,16H,10-11H2,1-5H3;1H
InChIKeyITRZHNAXNZFXEU-UHFFFAOYSA-N
XLogP3.81
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.82
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-4-ylmethyl)propan-2-amine
CID 159685342
N-methyl-1-pyridin-3-ylmethanamine;hydrochloride
CID 17290665
2,3-dimethyl-2-N-(pyridin-3-ylmethyl)butane-1,2-diamine;dihydrochloride
CID 119934808
N-[(3-bromophenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride
CID 17331375
3-methoxy-2-methyl-2-(pyridin-3-ylmethylamino)propanoic acid
CID 82239881
1-chloro-2-phenyl-N-(pyridin-3-ylmethyl)propan-2-amine
CID 105059503
3-(2,2-dimethylpropyl)pyridine;methane
CID 160666805
N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 13304847
2,2-dimethyl-N-(pyridin-3-ylmethyl)pentan-3-amine;hydrochloride
CID 115616065
N-iodo-1-pyridin-3-ylmethanamine
CID 89297492
2-methyl-1-pyridin-3-ylpropan-2-amine;dihydrochloride
CID 131637820
1-pyridin-4-yl-N-(pyridin-3-ylmethyl)methanamine;dihydrochloride
CID 163329891

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-N-(pyridin-3-ylmethyl)pentan-2-amine;hydrochloride?
The IUPAC name of 2,4,4-trimethyl-N-(pyridin-3-ylmethyl)pentan-2-amine;hydrochloride (CID 6463081) is 2,4,4-trimethyl-N-(pyridin-3-ylmethyl)pentan-2-amine;hydrochloride.
What is the SMILES notation for 2,4,4-trimethyl-N-(pyridin-3-ylmethyl)pentan-2-amine;hydrochloride?
The canonical SMILES for 2,4,4-trimethyl-N-(pyridin-3-ylmethyl)pentan-2-amine;hydrochloride is CC(C)(C)CC(C)(C)NCc1cccnc1.Cl.
What is the InChIKey of 2,4,4-trimethyl-N-(pyridin-3-ylmethyl)pentan-2-amine;hydrochloride?
The InChIKey is ITRZHNAXNZFXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2.ClH/c1-13(2,3)11-14(4,5)16-10-12-7-6-8-15-9-12;/h6-9,16H,10-11H2,1-5H3;1H.
What are the key properties of 2,4,4-trimethyl-N-(pyridin-3-ylmethyl)pentan-2-amine;hydrochloride?
2,4,4-trimethyl-N-(pyridin-3-ylmethyl)pentan-2-amine;hydrochloride has a molecular weight of 256.82 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-N-(pyridin-3-ylmethyl)pentan-2-amine;hydrochloride is sourced from PubChem (CID 6463081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).