ethanimine;4-heptan-4-yl-1-methylcyclohexene;5-methyl-N-(3-methylbut-3-en-2-yl)heptan-2-amine;propane

C32H66N2 — CID 143525081

IUPACethanimine;4-heptan-4-yl-1-methylcyclohexene;5-methyl-N-(3-methylbut-3-en-2-yl)heptan-2-amine;propane
SMILESC=C(C)C(C)NC(C)CCC(C)CC.CCC.CCCC(CCC)C1CC=C(C)CC1.[H]/N=C/C
InChIInChI=1S/C14H26.C13H27N.C3H8.C2H5N/c1-4-6-13(7-5-2)14-10-8-12(3)9-11-14;1-7-11(4)8-9-12(5)14-13(6)10(2)3;1-3-2;1-2-3/h8,13-14H,4-7,9-11H2,1-3H3;11-14H,2,7-9H2,1,3-6H3;3H2,1-2H3;2-3H,1H3/b;;;3-2+
InChIKeyGXNICRHEGLEVHT-NFQZDYBZSA-N
MW478.89 g/mol
LogP10.78
Rot. Bonds12

About ethanimine;4-heptan-4-yl-1-methylcyclohexene;5-methyl-N-(3-methylbut-3-en-2-yl)heptan-2-amine;propane

ethanimine;4-heptan-4-yl-1-methylcyclohexene;5-methyl-N-(3-methylbut-3-en-2-yl)heptan-2-amine;propane (PubChem CID 143525081) has the molecular formula C32H66N2 and a molecular weight of 478.89 g/mol. Its IUPAC name is ethanimine;4-heptan-4-yl-1-methylcyclohexene;5-methyl-N-(3-methylbut-3-en-2-yl)heptan-2-amine;propane.

Molecular Properties

Compound Nameethanimine;4-heptan-4-yl-1-methylcyclohexene;5-methyl-N-(3-methylbut-3-en-2-yl)heptan-2-amine;propane
PubChem CID143525081
Molecular FormulaC32H66N2
Molecular Weight478.89 g/mol
Exact Mass478.52
IUPAC Nameethanimine;4-heptan-4-yl-1-methylcyclohexene;5-methyl-N-(3-methylbut-3-en-2-yl)heptan-2-amine;propane
SMILESC=C(C)C(C)NC(C)CCC(C)CC.CCC.CCCC(CCC)C1CC=C(C)CC1.[H]/N=C/C
InChIInChI=1S/C14H26.C13H27N.C3H8.C2H5N/c1-4-6-13(7-5-2)14-10-8-12(3)9-11-14;1-7-11(4)8-9-12(5)14-13(6)10(2)3;1-3-2;1-2-3/h8,13-14H,4-7,9-11H2,1-3H3;11-14H,2,7-9H2,1,3-6H3;3H2,1-2H3;2-3H,1H3/b;;;3-2+
InChIKeyGXNICRHEGLEVHT-NFQZDYBZSA-N
XLogP10.78
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.89
LogP ≤ 510.78
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 ethanimine;4-heptan-4-yl-1-methylcyclohexene;5-methyl-N-(3-methylbut-3-en-2-yl)heptan-2-amine;propane 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 ethanimine;4-heptan-4-yl-1-methylcyclohexene;5-methyl-N-(3-methylbut-3-en-2-yl)heptan-2-amine;propane?
The IUPAC name of ethanimine;4-heptan-4-yl-1-methylcyclohexene;5-methyl-N-(3-methylbut-3-en-2-yl)heptan-2-amine;propane (CID 143525081) is ethanimine;4-heptan-4-yl-1-methylcyclohexene;5-methyl-N-(3-methylbut-3-en-2-yl)heptan-2-amine;propane.
What is the SMILES notation for ethanimine;4-heptan-4-yl-1-methylcyclohexene;5-methyl-N-(3-methylbut-3-en-2-yl)heptan-2-amine;propane?
The canonical SMILES for ethanimine;4-heptan-4-yl-1-methylcyclohexene;5-methyl-N-(3-methylbut-3-en-2-yl)heptan-2-amine;propane is C=C(C)C(C)NC(C)CCC(C)CC.CCC.CCCC(CCC)C1CC=C(C)CC1.[H]/N=C/C.
What is the InChIKey of ethanimine;4-heptan-4-yl-1-methylcyclohexene;5-methyl-N-(3-methylbut-3-en-2-yl)heptan-2-amine;propane?
The InChIKey is GXNICRHEGLEVHT-NFQZDYBZSA-N. The full InChI is InChI=1S/C14H26.C13H27N.C3H8.C2H5N/c1-4-6-13(7-5-2)14-10-8-12(3)9-11-14;1-7-11(4)8-9-12(5)14-13(6)10(2)3;1-3-2;1-2-3/h8,13-14H,4-7,9-11H2,1-3H3;11-14H,2,7-9H2,1,3-6H3;3H2,1-2H3;2-3H,1H3/b;;;3-2+.
What are the key properties of ethanimine;4-heptan-4-yl-1-methylcyclohexene;5-methyl-N-(3-methylbut-3-en-2-yl)heptan-2-amine;propane?
ethanimine;4-heptan-4-yl-1-methylcyclohexene;5-methyl-N-(3-methylbut-3-en-2-yl)heptan-2-amine;propane has a molecular weight of 478.89 g/mol, XLogP of 10.78, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanimine;4-heptan-4-yl-1-methylcyclohexene;5-methyl-N-(3-methylbut-3-en-2-yl)heptan-2-amine;propane is sourced from PubChem (CID 143525081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).