1-(2-adamantyl)-N-methylhexan-1-amine

C17H31N — CID 115837552

IUPAC1-(2-adamantyl)-N-methylhexan-1-amine
SMILESCCCCCC(NC)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H31N/c1-3-4-5-6-16(18-2)17-14-8-12-7-13(10-14)11-15(17)9-12/h12-18H,3-11H2,1-2H3
InChIKeyPDJAHSRGQCAXHH-UHFFFAOYSA-N
MW249.44 g/mol
LogP4.23
Rot. Bonds6

About 1-(2-adamantyl)-N-methylhexan-1-amine

1-(2-adamantyl)-N-methylhexan-1-amine (PubChem CID 115837552) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is 1-(2-adamantyl)-N-methylhexan-1-amine.

Molecular Properties

Compound Name1-(2-adamantyl)-N-methylhexan-1-amine
PubChem CID115837552
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC Name1-(2-adamantyl)-N-methylhexan-1-amine
SMILESCCCCCC(NC)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H31N/c1-3-4-5-6-16(18-2)17-14-8-12-7-13(10-14)11-15(17)9-12/h12-18H,3-11H2,1-2H3
InChIKeyPDJAHSRGQCAXHH-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.44
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-adamantyl)octylhydrazine
CID 105293660
1-(2-adamantyl)hexan-1-ol
CID 115784330
N-methyl-1-(2-methylcyclopropyl)undecan-1-amine
CID 65419745
adamantane;hexane
CID 157109132
1-(3,5-dimethylcyclohexyl)-N-methyloctan-1-amine
CID 104989051
1-(2-adamantyl)-N,2-dimethylpentan-1-amine
CID 107893397
1-(2-adamantyl)-N-propylhex-5-yn-1-amine
CID 105033843
N-methyl-1-(2-methylcyclopropyl)pentan-1-amine
CID 65419536
N-methyl-1-(4-propan-2-ylcyclohexyl)heptan-1-amine
CID 65425541
N-methyl-1-(4-methylcyclohexyl)nonan-1-amine
CID 63415649
1-(2-adamantyl)-N-ethyl-4-methylsulfonylbutan-1-amine
CID 115820654
[1-(2-adamantyl)-4-methoxybutyl]hydrazine
CID 105342610

Frequently Asked Questions

What is the IUPAC name of 1-(2-adamantyl)-N-methylhexan-1-amine?
The IUPAC name of 1-(2-adamantyl)-N-methylhexan-1-amine (CID 115837552) is 1-(2-adamantyl)-N-methylhexan-1-amine.
What is the SMILES notation for 1-(2-adamantyl)-N-methylhexan-1-amine?
The canonical SMILES for 1-(2-adamantyl)-N-methylhexan-1-amine is CCCCCC(NC)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of 1-(2-adamantyl)-N-methylhexan-1-amine?
The InChIKey is PDJAHSRGQCAXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N/c1-3-4-5-6-16(18-2)17-14-8-12-7-13(10-14)11-15(17)9-12/h12-18H,3-11H2,1-2H3.
What are the key properties of 1-(2-adamantyl)-N-methylhexan-1-amine?
1-(2-adamantyl)-N-methylhexan-1-amine has a molecular weight of 249.44 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-adamantyl)-N-methylhexan-1-amine is sourced from PubChem (CID 115837552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).