2-imino-6-[(5E)-9-methyldeca-5,9-dien-2-yl]-4-[(E)-prop-1-enyl]cyclohex-3-en-1-amine

C20H32N2 — CID 155273962

IUPAC2-imino-6-[(5E)-9-methyldeca-5,9-dien-2-yl]-4-[(E)-prop-1-enyl]cyclohex-3-en-1-amine
SMILES[H]/N=C1\C=C(/C=C/C)CC(C(C)CC/C=C/CCC(=C)C)C1N
InChIInChI=1S/C20H32N2/c1-5-10-17-13-18(20(22)19(21)14-17)16(4)12-9-7-6-8-11-15(2)3/h5-7,10,14,16,18,20-21H,2,8-9,11-13,22H2,1,3-4H3/b7-6+,10-5+,21-19+
InChIKeyASORNJLXGRCTMK-FBUXMCOCSA-N
MW300.49 g/mol
LogP5.18
Rot. Bonds8

About 2-imino-6-[(5E)-9-methyldeca-5,9-dien-2-yl]-4-[(E)-prop-1-enyl]cyclohex-3-en-1-amine

2-imino-6-[(5E)-9-methyldeca-5,9-dien-2-yl]-4-[(E)-prop-1-enyl]cyclohex-3-en-1-amine (PubChem CID 155273962) has the molecular formula C20H32N2 and a molecular weight of 300.49 g/mol. Its IUPAC name is 2-imino-6-[(5E)-9-methyldeca-5,9-dien-2-yl]-4-[(E)-prop-1-enyl]cyclohex-3-en-1-amine.

Molecular Properties

Compound Name2-imino-6-[(5E)-9-methyldeca-5,9-dien-2-yl]-4-[(E)-prop-1-enyl]cyclohex-3-en-1-amine
PubChem CID155273962
Molecular FormulaC20H32N2
Molecular Weight300.49 g/mol
Exact Mass300.26
IUPAC Name2-imino-6-[(5E)-9-methyldeca-5,9-dien-2-yl]-4-[(E)-prop-1-enyl]cyclohex-3-en-1-amine
SMILES[H]/N=C1\C=C(/C=C/C)CC(C(C)CC/C=C/CCC(=C)C)C1N
InChIInChI=1S/C20H32N2/c1-5-10-17-13-18(20(22)19(21)14-17)16(4)12-9-7-6-8-11-15(2)3/h5-7,10,14,16,18,20-21H,2,8-9,11-13,22H2,1,3-4H3/b7-6+,10-5+,21-19+
InChIKeyASORNJLXGRCTMK-FBUXMCOCSA-N
XLogP5.18
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.49
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-imino-6-[(5E)-9-methyldeca-5,9-dien-2-yl]-4-[(E)-prop-1-enyl]cyclohex-3-en-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-imino-6-[(5E)-9-methyldeca-5,9-dien-2-yl]-4-[(E)-prop-1-enyl]cyclohex-3-en-1-amine?
The IUPAC name of 2-imino-6-[(5E)-9-methyldeca-5,9-dien-2-yl]-4-[(E)-prop-1-enyl]cyclohex-3-en-1-amine (CID 155273962) is 2-imino-6-[(5E)-9-methyldeca-5,9-dien-2-yl]-4-[(E)-prop-1-enyl]cyclohex-3-en-1-amine.
What is the SMILES notation for 2-imino-6-[(5E)-9-methyldeca-5,9-dien-2-yl]-4-[(E)-prop-1-enyl]cyclohex-3-en-1-amine?
The canonical SMILES for 2-imino-6-[(5E)-9-methyldeca-5,9-dien-2-yl]-4-[(E)-prop-1-enyl]cyclohex-3-en-1-amine is [H]/N=C1\C=C(/C=C/C)CC(C(C)CC/C=C/CCC(=C)C)C1N.
What is the InChIKey of 2-imino-6-[(5E)-9-methyldeca-5,9-dien-2-yl]-4-[(E)-prop-1-enyl]cyclohex-3-en-1-amine?
The InChIKey is ASORNJLXGRCTMK-FBUXMCOCSA-N. The full InChI is InChI=1S/C20H32N2/c1-5-10-17-13-18(20(22)19(21)14-17)16(4)12-9-7-6-8-11-15(2)3/h5-7,10,14,16,18,20-21H,2,8-9,11-13,22H2,1,3-4H3/b7-6+,10-5+,21-19+.
What are the key properties of 2-imino-6-[(5E)-9-methyldeca-5,9-dien-2-yl]-4-[(E)-prop-1-enyl]cyclohex-3-en-1-amine?
2-imino-6-[(5E)-9-methyldeca-5,9-dien-2-yl]-4-[(E)-prop-1-enyl]cyclohex-3-en-1-amine has a molecular weight of 300.49 g/mol, XLogP of 5.18, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-6-[(5E)-9-methyldeca-5,9-dien-2-yl]-4-[(E)-prop-1-enyl]cyclohex-3-en-1-amine is sourced from PubChem (CID 155273962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).