4-[(E)-hex-3-en-3-yl]-1-[(3-methylcyclopent-3-en-1-yl)methyl]cyclohex-3-en-1-amine;prop-1-ene

C22H37N — CID 144989297

IUPAC4-[(E)-hex-3-en-3-yl]-1-[(3-methylcyclopent-3-en-1-yl)methyl]cyclohex-3-en-1-amine;prop-1-ene
SMILESC=CC.CC/C=C(\CC)C1=CCC(N)(CC2CC=C(C)C2)CC1
InChIInChI=1S/C19H31N.C3H6/c1-4-6-17(5-2)18-9-11-19(20,12-10-18)14-16-8-7-15(3)13-16;1-3-2/h6-7,9,16H,4-5,8,10-14,20H2,1-3H3;3H,1H2,2H3/b17-6+;
InChIKeyGIDKIUANBBMTIQ-ZDEOBDHWSA-N
MW315.55 g/mol
LogP6.48
Rot. Bonds5

About 4-[(E)-hex-3-en-3-yl]-1-[(3-methylcyclopent-3-en-1-yl)methyl]cyclohex-3-en-1-amine;prop-1-ene

4-[(E)-hex-3-en-3-yl]-1-[(3-methylcyclopent-3-en-1-yl)methyl]cyclohex-3-en-1-amine;prop-1-ene (PubChem CID 144989297) has the molecular formula C22H37N and a molecular weight of 315.55 g/mol. Its IUPAC name is 4-[(E)-hex-3-en-3-yl]-1-[(3-methylcyclopent-3-en-1-yl)methyl]cyclohex-3-en-1-amine;prop-1-ene.

Molecular Properties

Compound Name4-[(E)-hex-3-en-3-yl]-1-[(3-methylcyclopent-3-en-1-yl)methyl]cyclohex-3-en-1-amine;prop-1-ene
PubChem CID144989297
Molecular FormulaC22H37N
Molecular Weight315.55 g/mol
Exact Mass315.29
IUPAC Name4-[(E)-hex-3-en-3-yl]-1-[(3-methylcyclopent-3-en-1-yl)methyl]cyclohex-3-en-1-amine;prop-1-ene
SMILESC=CC.CC/C=C(\CC)C1=CCC(N)(CC2CC=C(C)C2)CC1
InChIInChI=1S/C19H31N.C3H6/c1-4-6-17(5-2)18-9-11-19(20,12-10-18)14-16-8-7-15(3)13-16;1-3-2/h6-7,9,16H,4-5,8,10-14,20H2,1-3H3;3H,1H2,2H3/b17-6+;
InChIKeyGIDKIUANBBMTIQ-ZDEOBDHWSA-N
XLogP6.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.55
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[(E)-hex-3-en-3-yl]-1-[(3-methylcyclopent-3-en-1-yl)methyl]cyclohex-3-en-1-amine;prop-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-hex-3-en-3-yl]-1-[(3-methylcyclopent-3-en-1-yl)methyl]cyclohex-3-en-1-amine;prop-1-ene?
The IUPAC name of 4-[(E)-hex-3-en-3-yl]-1-[(3-methylcyclopent-3-en-1-yl)methyl]cyclohex-3-en-1-amine;prop-1-ene (CID 144989297) is 4-[(E)-hex-3-en-3-yl]-1-[(3-methylcyclopent-3-en-1-yl)methyl]cyclohex-3-en-1-amine;prop-1-ene.
What is the SMILES notation for 4-[(E)-hex-3-en-3-yl]-1-[(3-methylcyclopent-3-en-1-yl)methyl]cyclohex-3-en-1-amine;prop-1-ene?
The canonical SMILES for 4-[(E)-hex-3-en-3-yl]-1-[(3-methylcyclopent-3-en-1-yl)methyl]cyclohex-3-en-1-amine;prop-1-ene is C=CC.CC/C=C(\CC)C1=CCC(N)(CC2CC=C(C)C2)CC1.
What is the InChIKey of 4-[(E)-hex-3-en-3-yl]-1-[(3-methylcyclopent-3-en-1-yl)methyl]cyclohex-3-en-1-amine;prop-1-ene?
The InChIKey is GIDKIUANBBMTIQ-ZDEOBDHWSA-N. The full InChI is InChI=1S/C19H31N.C3H6/c1-4-6-17(5-2)18-9-11-19(20,12-10-18)14-16-8-7-15(3)13-16;1-3-2/h6-7,9,16H,4-5,8,10-14,20H2,1-3H3;3H,1H2,2H3/b17-6+;.
What are the key properties of 4-[(E)-hex-3-en-3-yl]-1-[(3-methylcyclopent-3-en-1-yl)methyl]cyclohex-3-en-1-amine;prop-1-ene?
4-[(E)-hex-3-en-3-yl]-1-[(3-methylcyclopent-3-en-1-yl)methyl]cyclohex-3-en-1-amine;prop-1-ene has a molecular weight of 315.55 g/mol, XLogP of 6.48, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-hex-3-en-3-yl]-1-[(3-methylcyclopent-3-en-1-yl)methyl]cyclohex-3-en-1-amine;prop-1-ene is sourced from PubChem (CID 144989297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).