1-(1-adamantyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride

C18H27ClN2 — CID 18778323

IUPAC1-(1-adamantyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride
SMILESCC(NCc1cccnc1)C12CC3CC(CC(C3)C1)C2.Cl
InChIInChI=1S/C18H26N2.ClH/c1-13(20-12-14-3-2-4-19-11-14)18-8-15-5-16(9-18)7-17(6-15)10-18;/h2-4,11,13,15-17,20H,5-10,12H2,1H3;1H
InChIKeyOQCCKDOTHFZVEQ-UHFFFAOYSA-N
MW306.88 g/mol
LogP4.20
Rot. Bonds4

About 1-(1-adamantyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride

1-(1-adamantyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride (PubChem CID 18778323) has the molecular formula C18H27ClN2 and a molecular weight of 306.88 g/mol. Its IUPAC name is 1-(1-adamantyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name1-(1-adamantyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride
PubChem CID18778323
Molecular FormulaC18H27ClN2
Molecular Weight306.88 g/mol
Exact Mass306.19
IUPAC Name1-(1-adamantyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride
SMILESCC(NCc1cccnc1)C12CC3CC(CC(C3)C1)C2.Cl
InChIInChI=1S/C18H26N2.ClH/c1-13(20-12-14-3-2-4-19-11-14)18-8-15-5-16(9-18)7-17(6-15)10-18;/h2-4,11,13,15-17,20H,5-10,12H2,1H3;1H
InChIKeyOQCCKDOTHFZVEQ-UHFFFAOYSA-N
XLogP4.20
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.88
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(1-adamantyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-adamantyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 3148505
1-(1-adamantyl)-N-(1H-pyrazol-5-ylmethyl)ethanamine
CID 43662250
(1R)-1-cyclohexyl-N-(pyridin-3-ylmethyl)ethanamine
CID 81384480
1-(1-adamantylmethyl)-3-(pyridin-3-ylmethyl)urea
CID 108870288
(2R)-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine
CID 104868129
(2S,3S)-3-methyl-N-(pyridin-3-ylmethyl)pentan-2-amine
CID 28672035
5-methyl-N-(pyridin-3-ylmethyl)heptan-3-amine
CID 43204922
N-methyl-1-pyridin-3-ylmethanamine;hydrochloride
CID 17290665
4-chloro-N-(pyridin-3-ylmethyl)butan-2-amine
CID 83187736
(1S)-1-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 93283678
1-N,3-N,5-N-tris(pyridin-3-ylmethyl)cyclohexane-1,3,5-triamine
CID 177421480
1-(1-adamantyl)-N-[[4-[(2,6-dichlorophenyl)methoxy]phenyl]methyl]ethanamine
CID 4566164

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride?
The IUPAC name of 1-(1-adamantyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride (CID 18778323) is 1-(1-adamantyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride.
What is the SMILES notation for 1-(1-adamantyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride?
The canonical SMILES for 1-(1-adamantyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride is CC(NCc1cccnc1)C12CC3CC(CC(C3)C1)C2.Cl.
What is the InChIKey of 1-(1-adamantyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride?
The InChIKey is OQCCKDOTHFZVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2.ClH/c1-13(20-12-14-3-2-4-19-11-14)18-8-15-5-16(9-18)7-17(6-15)10-18;/h2-4,11,13,15-17,20H,5-10,12H2,1H3;1H.
What are the key properties of 1-(1-adamantyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride?
1-(1-adamantyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride has a molecular weight of 306.88 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride is sourced from PubChem (CID 18778323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).