3,5-dimethyl-N-(pyridin-4-ylmethyl)adamantan-1-amine;hydrochloride

C18H27ClN2 — CID 6459696

IUPAC3,5-dimethyl-N-(pyridin-4-ylmethyl)adamantan-1-amine;hydrochloride
SMILESCC12CC3CC(C)(C1)CC(NCc1ccncc1)(C3)C2.Cl
InChIInChI=1S/C18H26N2.ClH/c1-16-7-15-8-17(2,11-16)13-18(9-15,12-16)20-10-14-3-5-19-6-4-14;/h3-6,15,20H,7-13H2,1-2H3;1H
InChIKeyADJGJRQFLCPONY-UHFFFAOYSA-N
MW306.88 g/mol
LogP4.34
Rot. Bonds3

About 3,5-dimethyl-N-(pyridin-4-ylmethyl)adamantan-1-amine;hydrochloride

3,5-dimethyl-N-(pyridin-4-ylmethyl)adamantan-1-amine;hydrochloride (PubChem CID 6459696) has the molecular formula C18H27ClN2 and a molecular weight of 306.88 g/mol. Its IUPAC name is 3,5-dimethyl-N-(pyridin-4-ylmethyl)adamantan-1-amine;hydrochloride.

Molecular Properties

Compound Name3,5-dimethyl-N-(pyridin-4-ylmethyl)adamantan-1-amine;hydrochloride
PubChem CID6459696
Molecular FormulaC18H27ClN2
Molecular Weight306.88 g/mol
Exact Mass306.19
IUPAC Name3,5-dimethyl-N-(pyridin-4-ylmethyl)adamantan-1-amine;hydrochloride
SMILESCC12CC3CC(C)(C1)CC(NCc1ccncc1)(C3)C2.Cl
InChIInChI=1S/C18H26N2.ClH/c1-16-7-15-8-17(2,11-16)13-18(9-15,12-16)20-10-14-3-5-19-6-4-14;/h3-6,15,20H,7-13H2,1-2H3;1H
InChIKeyADJGJRQFLCPONY-UHFFFAOYSA-N
XLogP4.34
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.88
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(pyridin-4-ylmethyl)adamantan-1-amine;hydrochloride?
The IUPAC name of 3,5-dimethyl-N-(pyridin-4-ylmethyl)adamantan-1-amine;hydrochloride (CID 6459696) is 3,5-dimethyl-N-(pyridin-4-ylmethyl)adamantan-1-amine;hydrochloride.
What is the SMILES notation for 3,5-dimethyl-N-(pyridin-4-ylmethyl)adamantan-1-amine;hydrochloride?
The canonical SMILES for 3,5-dimethyl-N-(pyridin-4-ylmethyl)adamantan-1-amine;hydrochloride is CC12CC3CC(C)(C1)CC(NCc1ccncc1)(C3)C2.Cl.
What is the InChIKey of 3,5-dimethyl-N-(pyridin-4-ylmethyl)adamantan-1-amine;hydrochloride?
The InChIKey is ADJGJRQFLCPONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2.ClH/c1-16-7-15-8-17(2,11-16)13-18(9-15,12-16)20-10-14-3-5-19-6-4-14;/h3-6,15,20H,7-13H2,1-2H3;1H.
What are the key properties of 3,5-dimethyl-N-(pyridin-4-ylmethyl)adamantan-1-amine;hydrochloride?
3,5-dimethyl-N-(pyridin-4-ylmethyl)adamantan-1-amine;hydrochloride has a molecular weight of 306.88 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(pyridin-4-ylmethyl)adamantan-1-amine;hydrochloride is sourced from PubChem (CID 6459696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).