2-methylhex-1-ene;N-[1-(1-phenylindol-3-yl)ethenyl]butan-1-amine

C27H36N2 — CID 176553625

IUPAC2-methylhex-1-ene;N-[1-(1-phenylindol-3-yl)ethenyl]butan-1-amine
SMILESC=C(C)CCCC.C=C(NCCCC)c1cn(-c2ccccc2)c2ccccc12
InChIInChI=1S/C20H22N2.C7H14/c1-3-4-14-21-16(2)19-15-22(17-10-6-5-7-11-17)20-13-9-8-12-18(19)20;1-4-5-6-7(2)3/h5-13,15,21H,2-4,14H2,1H3;2,4-6H2,1,3H3
InChIKeyCLOJSAFPNYECIZ-UHFFFAOYSA-N
MW388.60 g/mol
LogP7.74
Rot. Bonds9

About 2-methylhex-1-ene;N-[1-(1-phenylindol-3-yl)ethenyl]butan-1-amine

2-methylhex-1-ene;N-[1-(1-phenylindol-3-yl)ethenyl]butan-1-amine (PubChem CID 176553625) has the molecular formula C27H36N2 and a molecular weight of 388.60 g/mol. Its IUPAC name is 2-methylhex-1-ene;N-[1-(1-phenylindol-3-yl)ethenyl]butan-1-amine.

Molecular Properties

Compound Name2-methylhex-1-ene;N-[1-(1-phenylindol-3-yl)ethenyl]butan-1-amine
PubChem CID176553625
Molecular FormulaC27H36N2
Molecular Weight388.60 g/mol
Exact Mass388.29
IUPAC Name2-methylhex-1-ene;N-[1-(1-phenylindol-3-yl)ethenyl]butan-1-amine
SMILESC=C(C)CCCC.C=C(NCCCC)c1cn(-c2ccccc2)c2ccccc12
InChIInChI=1S/C20H22N2.C7H14/c1-3-4-14-21-16(2)19-15-22(17-10-6-5-7-11-17)20-13-9-8-12-18(19)20;1-4-5-6-7(2)3/h5-13,15,21H,2-4,14H2,1H3;2,4-6H2,1,3H3
InChIKeyCLOJSAFPNYECIZ-UHFFFAOYSA-N
XLogP7.74
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.60
LogP ≤ 57.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methylhex-1-ene;N-[1-(1-phenylindol-3-yl)ethenyl]butan-1-amine 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 2-methylhex-1-ene;N-[1-(1-phenylindol-3-yl)ethenyl]butan-1-amine?
The IUPAC name of 2-methylhex-1-ene;N-[1-(1-phenylindol-3-yl)ethenyl]butan-1-amine (CID 176553625) is 2-methylhex-1-ene;N-[1-(1-phenylindol-3-yl)ethenyl]butan-1-amine.
What is the SMILES notation for 2-methylhex-1-ene;N-[1-(1-phenylindol-3-yl)ethenyl]butan-1-amine?
The canonical SMILES for 2-methylhex-1-ene;N-[1-(1-phenylindol-3-yl)ethenyl]butan-1-amine is C=C(C)CCCC.C=C(NCCCC)c1cn(-c2ccccc2)c2ccccc12.
What is the InChIKey of 2-methylhex-1-ene;N-[1-(1-phenylindol-3-yl)ethenyl]butan-1-amine?
The InChIKey is CLOJSAFPNYECIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2.C7H14/c1-3-4-14-21-16(2)19-15-22(17-10-6-5-7-11-17)20-13-9-8-12-18(19)20;1-4-5-6-7(2)3/h5-13,15,21H,2-4,14H2,1H3;2,4-6H2,1,3H3.
What are the key properties of 2-methylhex-1-ene;N-[1-(1-phenylindol-3-yl)ethenyl]butan-1-amine?
2-methylhex-1-ene;N-[1-(1-phenylindol-3-yl)ethenyl]butan-1-amine has a molecular weight of 388.60 g/mol, XLogP of 7.74, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylhex-1-ene;N-[1-(1-phenylindol-3-yl)ethenyl]butan-1-amine is sourced from PubChem (CID 176553625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).