3,5-dimethyl-N-(pyridin-2-ylmethyl)adamantan-1-amine

C18H26N2 — CID 4723801

IUPAC3,5-dimethyl-N-(pyridin-2-ylmethyl)adamantan-1-amine
SMILESCC12CC3CC(C)(C1)CC(NCc1ccccn1)(C3)C2
InChIInChI=1S/C18H26N2/c1-16-7-14-8-17(2,11-16)13-18(9-14,12-16)20-10-15-5-3-4-6-19-15/h3-6,14,20H,7-13H2,1-2H3
InChIKeyLUSZWADSAYVKKZ-UHFFFAOYSA-N
MW270.42 g/mol
LogP3.92
Rot. Bonds3

About 3,5-dimethyl-N-(pyridin-2-ylmethyl)adamantan-1-amine

3,5-dimethyl-N-(pyridin-2-ylmethyl)adamantan-1-amine (PubChem CID 4723801) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 3,5-dimethyl-N-(pyridin-2-ylmethyl)adamantan-1-amine.

Molecular Properties

Compound Name3,5-dimethyl-N-(pyridin-2-ylmethyl)adamantan-1-amine
PubChem CID4723801
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name3,5-dimethyl-N-(pyridin-2-ylmethyl)adamantan-1-amine
SMILESCC12CC3CC(C)(C1)CC(NCc1ccccn1)(C3)C2
InChIInChI=1S/C18H26N2/c1-16-7-14-8-17(2,11-16)13-18(9-14,12-16)20-10-15-5-3-4-6-19-15/h3-6,14,20H,7-13H2,1-2H3
InChIKeyLUSZWADSAYVKKZ-UHFFFAOYSA-N
XLogP3.92
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-3,5-dimethyladamantan-1-amine
CID 4721832
(3S,5R)-N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-3,5-dimethyladamantan-1-amine
CID 35698153
N-(cyclopropylmethyl)-3,5-dimethyladamantan-1-amine
CID 79998469
1-(chloromethyl)-N-(pyridin-2-ylmethyl)cyclohexan-1-amine
CID 65024881
N-(3,5-dimethyl-1-adamantyl)-5-methyl-1H-imidazol-2-amine
CID 106576664
1-(1-adamantyl)-N-(pyridin-2-ylmethyl)ethanamine;dihydrochloride
CID 163327971
N-(pyridin-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 56832240
ethane;N-(pyridin-2-ylmethyl)cyclopropanamine
CID 144801835
1-(1-methylcyclopropyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 43363176
N-[(1-ethylcyclopropyl)methyl]-1-pyridin-2-ylmethanamine
CID 103735456
N-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3,5-dimethyladamantan-1-amine
CID 66536745
1,3,5-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[4.1.0]hepta-2,4-dien-2-amine
CID 142237494

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(pyridin-2-ylmethyl)adamantan-1-amine?
The IUPAC name of 3,5-dimethyl-N-(pyridin-2-ylmethyl)adamantan-1-amine (CID 4723801) is 3,5-dimethyl-N-(pyridin-2-ylmethyl)adamantan-1-amine.
What is the SMILES notation for 3,5-dimethyl-N-(pyridin-2-ylmethyl)adamantan-1-amine?
The canonical SMILES for 3,5-dimethyl-N-(pyridin-2-ylmethyl)adamantan-1-amine is CC12CC3CC(C)(C1)CC(NCc1ccccn1)(C3)C2.
What is the InChIKey of 3,5-dimethyl-N-(pyridin-2-ylmethyl)adamantan-1-amine?
The InChIKey is LUSZWADSAYVKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-16-7-14-8-17(2,11-16)13-18(9-14,12-16)20-10-15-5-3-4-6-19-15/h3-6,14,20H,7-13H2,1-2H3.
What are the key properties of 3,5-dimethyl-N-(pyridin-2-ylmethyl)adamantan-1-amine?
3,5-dimethyl-N-(pyridin-2-ylmethyl)adamantan-1-amine has a molecular weight of 270.42 g/mol, XLogP of 3.92, 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-2-ylmethyl)adamantan-1-amine is sourced from PubChem (CID 4723801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).