N-(cyclohex-2-en-1-ylmethyl)-3-(2-methylhex-1-en-3-ylimino)but-1-en-2-amine

C18H30N2 — CID 166712152

IUPACN-(cyclohex-2-en-1-ylmethyl)-3-(2-methylhex-1-en-3-ylimino)but-1-en-2-amine
SMILESC=C(NCC1C=CCCC1)/C(C)=N/C(CCC)C(=C)C
InChIInChI=1S/C18H30N2/c1-6-10-18(14(2)3)20-16(5)15(4)19-13-17-11-8-7-9-12-17/h8,11,17-19H,2,4,6-7,9-10,12-13H2,1,3,5H3/b20-16+
InChIKeyPTDDZIDPRSRBBA-CAPFRKAQSA-N
MW274.45 g/mol
LogP4.65
Rot. Bonds8

About N-(cyclohex-2-en-1-ylmethyl)-3-(2-methylhex-1-en-3-ylimino)but-1-en-2-amine

N-(cyclohex-2-en-1-ylmethyl)-3-(2-methylhex-1-en-3-ylimino)but-1-en-2-amine (PubChem CID 166712152) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-(cyclohex-2-en-1-ylmethyl)-3-(2-methylhex-1-en-3-ylimino)but-1-en-2-amine.

Molecular Properties

Compound NameN-(cyclohex-2-en-1-ylmethyl)-3-(2-methylhex-1-en-3-ylimino)but-1-en-2-amine
PubChem CID166712152
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-(cyclohex-2-en-1-ylmethyl)-3-(2-methylhex-1-en-3-ylimino)but-1-en-2-amine
SMILESC=C(NCC1C=CCCC1)/C(C)=N/C(CCC)C(=C)C
InChIInChI=1S/C18H30N2/c1-6-10-18(14(2)3)20-16(5)15(4)19-13-17-11-8-7-9-12-17/h8,11,17-19H,2,4,6-7,9-10,12-13H2,1,3,5H3/b20-16+
InChIKeyPTDDZIDPRSRBBA-CAPFRKAQSA-N
XLogP4.65
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(cyclohex-2-en-1-ylmethyl)-3-(2-methylhex-1-en-3-ylimino)but-1-en-2-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 N-(cyclohex-2-en-1-ylmethyl)-3-(2-methylhex-1-en-3-ylimino)but-1-en-2-amine?
The IUPAC name of N-(cyclohex-2-en-1-ylmethyl)-3-(2-methylhex-1-en-3-ylimino)but-1-en-2-amine (CID 166712152) is N-(cyclohex-2-en-1-ylmethyl)-3-(2-methylhex-1-en-3-ylimino)but-1-en-2-amine.
What is the SMILES notation for N-(cyclohex-2-en-1-ylmethyl)-3-(2-methylhex-1-en-3-ylimino)but-1-en-2-amine?
The canonical SMILES for N-(cyclohex-2-en-1-ylmethyl)-3-(2-methylhex-1-en-3-ylimino)but-1-en-2-amine is C=C(NCC1C=CCCC1)/C(C)=N/C(CCC)C(=C)C.
What is the InChIKey of N-(cyclohex-2-en-1-ylmethyl)-3-(2-methylhex-1-en-3-ylimino)but-1-en-2-amine?
The InChIKey is PTDDZIDPRSRBBA-CAPFRKAQSA-N. The full InChI is InChI=1S/C18H30N2/c1-6-10-18(14(2)3)20-16(5)15(4)19-13-17-11-8-7-9-12-17/h8,11,17-19H,2,4,6-7,9-10,12-13H2,1,3,5H3/b20-16+.
What are the key properties of N-(cyclohex-2-en-1-ylmethyl)-3-(2-methylhex-1-en-3-ylimino)but-1-en-2-amine?
N-(cyclohex-2-en-1-ylmethyl)-3-(2-methylhex-1-en-3-ylimino)but-1-en-2-amine has a molecular weight of 274.45 g/mol, XLogP of 4.65, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-2-en-1-ylmethyl)-3-(2-methylhex-1-en-3-ylimino)but-1-en-2-amine is sourced from PubChem (CID 166712152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).