3-cyclotetradecyl-N-propan-2-ylpropan-1-amine

C20H41N — CID 91804535

IUPAC3-cyclotetradecyl-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCCCC1CCCCCCCCCCCCC1
InChIInChI=1S/C20H41N/c1-19(2)21-18-14-17-20-15-12-10-8-6-4-3-5-7-9-11-13-16-20/h19-21H,3-18H2,1-2H3
InChIKeyHHRNEVBGSYVAPI-UHFFFAOYSA-N
MW295.55 g/mol
LogP6.47
Rot. Bonds5

About 3-cyclotetradecyl-N-propan-2-ylpropan-1-amine

3-cyclotetradecyl-N-propan-2-ylpropan-1-amine (PubChem CID 91804535) has the molecular formula C20H41N and a molecular weight of 295.55 g/mol. Its IUPAC name is 3-cyclotetradecyl-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-cyclotetradecyl-N-propan-2-ylpropan-1-amine
PubChem CID91804535
Molecular FormulaC20H41N
Molecular Weight295.55 g/mol
Exact Mass295.32
IUPAC Name3-cyclotetradecyl-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCCCC1CCCCCCCCCCCCC1
InChIInChI=1S/C20H41N/c1-19(2)21-18-14-17-20-15-12-10-8-6-4-3-5-7-9-11-13-16-20/h19-21H,3-18H2,1-2H3
InChIKeyHHRNEVBGSYVAPI-UHFFFAOYSA-N
XLogP6.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.55
LogP ≤ 56.47
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

3-cyclohexyl-N-(1-cyclopropylethyl)propan-1-amine
CID 115676362
N-(2-cyclopentylethyl)propan-2-amine;molecular hydrogen
CID 165122655
N-(3-cyclohexylpropyl)-3-methoxybutan-2-amine
CID 115709393
3-cyclohexyl-N-methylpropan-1-amine
CID 3028091
3-(cyclohexylmethoxy)-N-propan-2-ylpropan-1-amine
CID 62343201
N-(3-cyclopentylpropyl)heptan-2-amine
CID 106008711
N-(2-cyclobutylethyl)propan-2-amine;molecular hydrogen
CID 171515150
N-(3-cyclopentylpropyl)-5-methylheptan-3-amine
CID 114136708
3-(oxolan-3-yl)-N-propan-2-ylpropan-1-amine
CID 64503037
3-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 62139278
N-[1-(1-adamantyl)ethyl]-3-cyclopentylpropan-1-amine
CID 106008374
3-(2-ethylcyclohexyl)-N-propan-2-ylpropan-1-amine
CID 64502569

Frequently Asked Questions

What is the IUPAC name of 3-cyclotetradecyl-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-cyclotetradecyl-N-propan-2-ylpropan-1-amine (CID 91804535) is 3-cyclotetradecyl-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-cyclotetradecyl-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-cyclotetradecyl-N-propan-2-ylpropan-1-amine is CC(C)NCCCC1CCCCCCCCCCCCC1.
What is the InChIKey of 3-cyclotetradecyl-N-propan-2-ylpropan-1-amine?
The InChIKey is HHRNEVBGSYVAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N/c1-19(2)21-18-14-17-20-15-12-10-8-6-4-3-5-7-9-11-13-16-20/h19-21H,3-18H2,1-2H3.
What are the key properties of 3-cyclotetradecyl-N-propan-2-ylpropan-1-amine?
3-cyclotetradecyl-N-propan-2-ylpropan-1-amine has a molecular weight of 295.55 g/mol, XLogP of 6.47, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclotetradecyl-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 91804535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).