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

C17H31N — CID 107893392

IUPAC1-(1-adamantyl)-N,2-dimethylpentan-1-amine
SMILESCCCC(C)C(NC)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H31N/c1-4-5-12(2)16(18-3)17-9-13-6-14(10-17)8-15(7-13)11-17/h12-16,18H,4-11H2,1-3H3
InChIKeyMZDNHTHATHIXBF-UHFFFAOYSA-N
MW249.44 g/mol
LogP4.23
Rot. Bonds5

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

1-(1-adamantyl)-N,2-dimethylpentan-1-amine (PubChem CID 107893392) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is 1-(1-adamantyl)-N,2-dimethylpentan-1-amine.

Molecular Properties

Compound Name1-(1-adamantyl)-N,2-dimethylpentan-1-amine
PubChem CID107893392
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC Name1-(1-adamantyl)-N,2-dimethylpentan-1-amine
SMILESCCCC(C)C(NC)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H31N/c1-4-5-12(2)16(18-3)17-9-13-6-14(10-17)8-15(7-13)11-17/h12-16,18H,4-11H2,1-3H3
InChIKeyMZDNHTHATHIXBF-UHFFFAOYSA-N
XLogP4.23
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 ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1-adamantyl)-N-methyl-2-pentan-2-yloxyethanamine
CID 102981201
1-(1-adamantyl)-N-methyl-2-(2-methylpentoxy)ethanamine
CID 103283381
1-(1-adamantyl)-N-ethyl-3-methylhexan-2-amine
CID 107894228
N-[1-(1-adamantyl)ethyl]hexan-3-amine
CID 55193331
1-(3-bromohexan-2-yl)adamantane
CID 83051676
1-(2-adamantyl)-N,2-dimethylpentan-1-amine
CID 107893397
N-[1-(1-adamantyl)ethyl]hexan-2-amine
CID 43757554
2-(1-adamantyl)pentanenitrile
CID 4183520
1-(1-adamantyl)-3-ethyl-N-methylpentan-1-amine
CID 82923509
1-(1-adamantyl)pentan-1-ol
CID 584500
N,2-dimethyl-1-(1-phenylcyclopropyl)pentan-1-amine
CID 114013571
1-(1-adamantyl)-N-methylpent-4-yn-1-amine
CID 55248533

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-N,2-dimethylpentan-1-amine?
The IUPAC name of 1-(1-adamantyl)-N,2-dimethylpentan-1-amine (CID 107893392) is 1-(1-adamantyl)-N,2-dimethylpentan-1-amine.
What is the SMILES notation for 1-(1-adamantyl)-N,2-dimethylpentan-1-amine?
The canonical SMILES for 1-(1-adamantyl)-N,2-dimethylpentan-1-amine is CCCC(C)C(NC)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-N,2-dimethylpentan-1-amine?
The InChIKey is MZDNHTHATHIXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N/c1-4-5-12(2)16(18-3)17-9-13-6-14(10-17)8-15(7-13)11-17/h12-16,18H,4-11H2,1-3H3.
What are the key properties of 1-(1-adamantyl)-N,2-dimethylpentan-1-amine?
1-(1-adamantyl)-N,2-dimethylpentan-1-amine has a molecular weight of 249.44 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-N,2-dimethylpentan-1-amine is sourced from PubChem (CID 107893392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).