1-(2-adamantyl)-N,2-dimethylpentan-1-amine

C17H31N — CID 107893397

IUPAC1-(2-adamantyl)-N,2-dimethylpentan-1-amine
SMILESCCCC(C)C(NC)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H31N/c1-4-5-11(2)17(18-3)16-14-7-12-6-13(9-14)10-15(16)8-12/h11-18H,4-10H2,1-3H3
InChIKeyOQDAJEIDHOTREY-UHFFFAOYSA-N
MW249.44 g/mol
LogP4.08
Rot. Bonds5

About 1-(2-adamantyl)-N,2-dimethylpentan-1-amine

1-(2-adamantyl)-N,2-dimethylpentan-1-amine (PubChem CID 107893397) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is 1-(2-adamantyl)-N,2-dimethylpentan-1-amine.

Molecular Properties

Compound Name1-(2-adamantyl)-N,2-dimethylpentan-1-amine
PubChem CID107893397
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC Name1-(2-adamantyl)-N,2-dimethylpentan-1-amine
SMILESCCCC(C)C(NC)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H31N/c1-4-5-11(2)17(18-3)16-14-7-12-6-13(9-14)10-15(16)8-12/h11-18H,4-10H2,1-3H3
InChIKeyOQDAJEIDHOTREY-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.44
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-adamantyl)-N-methylhexan-1-amine
CID 115837552
1-(2-adamantyl)-N-methylethanamine
CID 10058442
1-cyclooctyl-N,2-dimethylpentan-1-amine
CID 107893689
1-(1-adamantyl)-N,2-dimethylpentan-1-amine
CID 107893392
N,2-dimethyl-1-(oxan-3-yl)pentan-1-amine
CID 107138713
1-(4-tert-butylcyclohexyl)-N,2-dimethylpentan-1-amine
CID 107893901
1-(1,4-dimethylpiperazin-2-yl)-N,2-dimethylpentan-1-amine
CID 107896718
1-(3,5-dimethylcyclohexyl)-N,2-dimethylhexan-1-amine
CID 114246446
2-(1-iodoethyl)adamantane
CID 23001063
2-methyl-5-(3-methylhexan-2-yl)bicyclo[2.1.1]hexane
CID 123855400
1-(2-adamantyl)-5-methylhexan-1-amine
CID 105028742
1-(2-adamantyl)hexan-1-ol
CID 115784330

Frequently Asked Questions

What is the IUPAC name of 1-(2-adamantyl)-N,2-dimethylpentan-1-amine?
The IUPAC name of 1-(2-adamantyl)-N,2-dimethylpentan-1-amine (CID 107893397) is 1-(2-adamantyl)-N,2-dimethylpentan-1-amine.
What is the SMILES notation for 1-(2-adamantyl)-N,2-dimethylpentan-1-amine?
The canonical SMILES for 1-(2-adamantyl)-N,2-dimethylpentan-1-amine is CCCC(C)C(NC)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of 1-(2-adamantyl)-N,2-dimethylpentan-1-amine?
The InChIKey is OQDAJEIDHOTREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N/c1-4-5-11(2)17(18-3)16-14-7-12-6-13(9-14)10-15(16)8-12/h11-18H,4-10H2,1-3H3.
What are the key properties of 1-(2-adamantyl)-N,2-dimethylpentan-1-amine?
1-(2-adamantyl)-N,2-dimethylpentan-1-amine has a molecular weight of 249.44 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-adamantyl)-N,2-dimethylpentan-1-amine is sourced from PubChem (CID 107893397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).