2-(cyclohexen-1-yl)-N-(2-methylpropyl)-2-propylpentan-1-amine

C18H35N — CID 116662398

IUPAC2-(cyclohexen-1-yl)-N-(2-methylpropyl)-2-propylpentan-1-amine
SMILESCCCC(CCC)(CNCC(C)C)C1=CCCCC1
InChIInChI=1S/C18H35N/c1-5-12-18(13-6-2,15-19-14-16(3)4)17-10-8-7-9-11-17/h10,16,19H,5-9,11-15H2,1-4H3
InChIKeyURYCPRNIKMFHDC-UHFFFAOYSA-N
MW265.48 g/mol
LogP5.32
Rot. Bonds9

About 2-(cyclohexen-1-yl)-N-(2-methylpropyl)-2-propylpentan-1-amine

2-(cyclohexen-1-yl)-N-(2-methylpropyl)-2-propylpentan-1-amine (PubChem CID 116662398) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-(2-methylpropyl)-2-propylpentan-1-amine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-(2-methylpropyl)-2-propylpentan-1-amine
PubChem CID116662398
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC Name2-(cyclohexen-1-yl)-N-(2-methylpropyl)-2-propylpentan-1-amine
SMILESCCCC(CCC)(CNCC(C)C)C1=CCCCC1
InChIInChI=1S/C18H35N/c1-5-12-18(13-6-2,15-19-14-16(3)4)17-10-8-7-9-11-17/h10,16,19H,5-9,11-15H2,1-4H3
InChIKeyURYCPRNIKMFHDC-UHFFFAOYSA-N
XLogP5.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.48
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclohexen-1-yl)-2-ethyl-N-propylbutan-1-amine
CID 116662260
2-(cyclohexen-1-yl)-4-(2-methylpropylamino)butan-2-ol
CID 106654920
N-[2-(cyclohexen-1-yl)-2,2-difluoroethyl]propan-2-amine
CID 116662296
2-(2-methylphenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine
CID 63516669
2-(3,4-dimethylphenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine
CID 63512435
2-(2-chlorophenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine
CID 63515522
2-(cyclohexen-1-yl)-3-ethyl-N-(2-methylpropyl)pentan-1-amine
CID 116662399
2-(cycloocten-1-yl)-1-(ethylamino)propan-2-ol
CID 106654928
2-(cyclohexen-1-yl)-4-(ethylamino)butan-2-ol
CID 106654909
N-(2-methylpropyl)cyclohexene-1-sulfonamide
CID 18792230
2-ethyl-N-(2-methylpropyl)-2-phenylbutan-1-amine
CID 62594549
2-(cyclohepten-1-yl)-2-fluorobutan-1-amine
CID 106655044

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-N-(2-methylpropyl)-2-propylpentan-1-amine?
The IUPAC name of 2-(cyclohexen-1-yl)-N-(2-methylpropyl)-2-propylpentan-1-amine (CID 116662398) is 2-(cyclohexen-1-yl)-N-(2-methylpropyl)-2-propylpentan-1-amine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-(2-methylpropyl)-2-propylpentan-1-amine?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-(2-methylpropyl)-2-propylpentan-1-amine is CCCC(CCC)(CNCC(C)C)C1=CCCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-(2-methylpropyl)-2-propylpentan-1-amine?
The InChIKey is URYCPRNIKMFHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N/c1-5-12-18(13-6-2,15-19-14-16(3)4)17-10-8-7-9-11-17/h10,16,19H,5-9,11-15H2,1-4H3.
What are the key properties of 2-(cyclohexen-1-yl)-N-(2-methylpropyl)-2-propylpentan-1-amine?
2-(cyclohexen-1-yl)-N-(2-methylpropyl)-2-propylpentan-1-amine has a molecular weight of 265.48 g/mol, XLogP of 5.32, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-(2-methylpropyl)-2-propylpentan-1-amine is sourced from PubChem (CID 116662398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).