N-[2-(cyclohexen-1-yl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine

C18H31N — CID 60664463

IUPACN-[2-(cyclohexen-1-yl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
SMILESCC1(C)C2CCC1(C)C(NCCC1=CCCCC1)C2
InChIInChI=1S/C18H31N/c1-17(2)15-9-11-18(17,3)16(13-15)19-12-10-14-7-5-4-6-8-14/h7,15-16,19H,4-6,8-13H2,1-3H3
InChIKeyLRXFCHYFOPGPCV-UHFFFAOYSA-N
MW261.45 g/mol
LogP4.68
Rot. Bonds4

About N-[2-(cyclohexen-1-yl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine

N-[2-(cyclohexen-1-yl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine (PubChem CID 60664463) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
PubChem CID60664463
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
SMILESCC1(C)C2CCC1(C)C(NCCC1=CCCCC1)C2
InChIInChI=1S/C18H31N/c1-17(2)15-9-11-18(17,3)16(13-15)19-12-10-14-7-5-4-6-8-14/h7,15-16,19H,4-6,8-13H2,1-3H3
InChIKeyLRXFCHYFOPGPCV-UHFFFAOYSA-N
XLogP4.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.45
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine (CID 60664463) is N-[2-(cyclohexen-1-yl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine is CC1(C)C2CCC1(C)C(NCCC1=CCCCC1)C2.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
The InChIKey is LRXFCHYFOPGPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-17(2)15-9-11-18(17,3)16(13-15)19-12-10-14-7-5-4-6-8-14/h7,15-16,19H,4-6,8-13H2,1-3H3.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
N-[2-(cyclohexen-1-yl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine has a molecular weight of 261.45 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 60664463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).