N-[1-(1-adamantyl)ethyl]-3-cyclopentylpropan-1-amine

C20H35N — CID 106008374

IUPACN-[1-(1-adamantyl)ethyl]-3-cyclopentylpropan-1-amine
SMILESCC(NCCCC1CCCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H35N/c1-15(21-8-4-7-16-5-2-3-6-16)20-12-17-9-18(13-20)11-19(10-17)14-20/h15-19,21H,2-14H2,1H3
InChIKeyJGKPEYLHWWJKGW-UHFFFAOYSA-N
MW289.51 g/mol
LogP5.15
Rot. Bonds6

About N-[1-(1-adamantyl)ethyl]-3-cyclopentylpropan-1-amine

N-[1-(1-adamantyl)ethyl]-3-cyclopentylpropan-1-amine (PubChem CID 106008374) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is N-[1-(1-adamantyl)ethyl]-3-cyclopentylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(1-adamantyl)ethyl]-3-cyclopentylpropan-1-amine
PubChem CID106008374
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC NameN-[1-(1-adamantyl)ethyl]-3-cyclopentylpropan-1-amine
SMILESCC(NCCCC1CCCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H35N/c1-15(21-8-4-7-16-5-2-3-6-16)20-12-17-9-18(13-20)11-19(10-17)14-20/h15-19,21H,2-14H2,1H3
InChIKeyJGKPEYLHWWJKGW-UHFFFAOYSA-N
XLogP5.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 55.15
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

N-[1-(1-adamantyl)ethyl]-3-propoxypropan-1-amine
CID 82941025
3-cyclotetradecyl-N-propan-2-ylpropan-1-amine
CID 91804535
3-cyclohexyl-N-(1-cyclopropylethyl)propan-1-amine
CID 115676362
1-(1-adamantyl)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 63462111
N-(3-cyclohexylpropyl)-3-methoxybutan-2-amine
CID 115709393
N-(3-cyclopentylpropyl)-5-methylheptan-3-amine
CID 114136708
N-[1-(1-adamantyl)ethyl]cyclohexanamine
CID 11777452
1-(1-adamantyl)-2-cyclohexyl-N-methylethanamine
CID 63416108
1-(1-adamantyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 43191196
1-(1-adamantyl)ethylhydrazine
CID 23008707
1-cyclopropyl-N-(3-cyclopropylpropyl)propan-2-amine
CID 115890825
N-(3-cyclopentylpropyl)heptan-2-amine
CID 106008711

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)ethyl]-3-cyclopentylpropan-1-amine?
The IUPAC name of N-[1-(1-adamantyl)ethyl]-3-cyclopentylpropan-1-amine (CID 106008374) is N-[1-(1-adamantyl)ethyl]-3-cyclopentylpropan-1-amine.
What is the SMILES notation for N-[1-(1-adamantyl)ethyl]-3-cyclopentylpropan-1-amine?
The canonical SMILES for N-[1-(1-adamantyl)ethyl]-3-cyclopentylpropan-1-amine is CC(NCCCC1CCCC1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)ethyl]-3-cyclopentylpropan-1-amine?
The InChIKey is JGKPEYLHWWJKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N/c1-15(21-8-4-7-16-5-2-3-6-16)20-12-17-9-18(13-20)11-19(10-17)14-20/h15-19,21H,2-14H2,1H3.
What are the key properties of N-[1-(1-adamantyl)ethyl]-3-cyclopentylpropan-1-amine?
N-[1-(1-adamantyl)ethyl]-3-cyclopentylpropan-1-amine has a molecular weight of 289.51 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)ethyl]-3-cyclopentylpropan-1-amine is sourced from PubChem (CID 106008374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).