4-cyclohexyl-2,6-dimethyl-N-prop-2-enylhepta-1,6-dien-4-amine

C18H31N — CID 135079228

IUPAC4-cyclohexyl-2,6-dimethyl-N-prop-2-enylhepta-1,6-dien-4-amine
SMILESC=CCNC(CC(=C)C)(CC(=C)C)C1CCCCC1
InChIInChI=1S/C18H31N/c1-6-12-19-18(13-15(2)3,14-16(4)5)17-10-8-7-9-11-17/h6,17,19H,1-2,4,7-14H2,3,5H3
InChIKeyKTPSIROCGUPKQB-UHFFFAOYSA-N
MW261.45 g/mol
LogP5.01
Rot. Bonds8

About 4-cyclohexyl-2,6-dimethyl-N-prop-2-enylhepta-1,6-dien-4-amine

4-cyclohexyl-2,6-dimethyl-N-prop-2-enylhepta-1,6-dien-4-amine (PubChem CID 135079228) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is 4-cyclohexyl-2,6-dimethyl-N-prop-2-enylhepta-1,6-dien-4-amine.

Molecular Properties

Compound Name4-cyclohexyl-2,6-dimethyl-N-prop-2-enylhepta-1,6-dien-4-amine
PubChem CID135079228
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name4-cyclohexyl-2,6-dimethyl-N-prop-2-enylhepta-1,6-dien-4-amine
SMILESC=CCNC(CC(=C)C)(CC(=C)C)C1CCCCC1
InChIInChI=1S/C18H31N/c1-6-12-19-18(13-15(2)3,14-16(4)5)17-10-8-7-9-11-17/h6,17,19H,1-2,4,7-14H2,3,5H3
InChIKeyKTPSIROCGUPKQB-UHFFFAOYSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.45
LogP ≤ 55.01
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 4-cyclohexyl-2,6-dimethyl-N-prop-2-enylhepta-1,6-dien-4-amine?
The IUPAC name of 4-cyclohexyl-2,6-dimethyl-N-prop-2-enylhepta-1,6-dien-4-amine (CID 135079228) is 4-cyclohexyl-2,6-dimethyl-N-prop-2-enylhepta-1,6-dien-4-amine.
What is the SMILES notation for 4-cyclohexyl-2,6-dimethyl-N-prop-2-enylhepta-1,6-dien-4-amine?
The canonical SMILES for 4-cyclohexyl-2,6-dimethyl-N-prop-2-enylhepta-1,6-dien-4-amine is C=CCNC(CC(=C)C)(CC(=C)C)C1CCCCC1.
What is the InChIKey of 4-cyclohexyl-2,6-dimethyl-N-prop-2-enylhepta-1,6-dien-4-amine?
The InChIKey is KTPSIROCGUPKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-6-12-19-18(13-15(2)3,14-16(4)5)17-10-8-7-9-11-17/h6,17,19H,1-2,4,7-14H2,3,5H3.
What are the key properties of 4-cyclohexyl-2,6-dimethyl-N-prop-2-enylhepta-1,6-dien-4-amine?
4-cyclohexyl-2,6-dimethyl-N-prop-2-enylhepta-1,6-dien-4-amine has a molecular weight of 261.45 g/mol, XLogP of 5.01, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-2,6-dimethyl-N-prop-2-enylhepta-1,6-dien-4-amine is sourced from PubChem (CID 135079228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).