ethane;methane;(Z)-4-methylhex-2-en-1-imine

C12H29N — CID 178018442

IUPACethane;methane;(Z)-4-methylhex-2-en-1-imine
SMILESC.CC.CC.[H]/N=C/C=C\C(C)CC
InChIInChI=1S/C7H13N.2C2H6.CH4/c1-3-7(2)5-4-6-8;2*1-2;/h4-8H,3H2,1-2H3;2*1-2H3;1H4/b5-4-,8-6+;;;
InChIKeyDFHVZDUNAUZYJU-WTGUCDEJSA-N
MW187.37 g/mol
LogP4.93
Rot. Bonds3

About ethane;methane;(Z)-4-methylhex-2-en-1-imine

ethane;methane;(Z)-4-methylhex-2-en-1-imine (PubChem CID 178018442) has the molecular formula C12H29N and a molecular weight of 187.37 g/mol. Its IUPAC name is ethane;methane;(Z)-4-methylhex-2-en-1-imine.

Molecular Properties

Compound Nameethane;methane;(Z)-4-methylhex-2-en-1-imine
PubChem CID178018442
Molecular FormulaC12H29N
Molecular Weight187.37 g/mol
Exact Mass187.23
IUPAC Nameethane;methane;(Z)-4-methylhex-2-en-1-imine
SMILESC.CC.CC.[H]/N=C/C=C\C(C)CC
InChIInChI=1S/C7H13N.2C2H6.CH4/c1-3-7(2)5-4-6-8;2*1-2;/h4-8H,3H2,1-2H3;2*1-2H3;1H4/b5-4-,8-6+;;;
InChIKeyDFHVZDUNAUZYJU-WTGUCDEJSA-N
XLogP4.93
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.37
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethane;methane;(Z)-4-methylhex-2-en-1-imine with MolForge

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

Launch Full Analysis

Related Compounds

(Z)-4-methylhept-2-en-1-imine
CID 123491020
3,6-dimethyloct-4-ene
CID 73165576
(1Z,3Z)-5-methylhepta-1,3-dien-1-amine
CID 144815707
(Z)-5-methylhept-3-ene
CID 5364727
(E,3S)-1-iodo-3-methylpent-1-ene
CID 24773193
N-[(1Z,3Z)-5-methylhepta-1,3-dienyl]ethanimine
CID 143743991
ethane;(2Z,4E)-hexa-2,4-dien-1-imine
CID 143495336
2,4-dimethylhexan-1-imine
CID 88882138
N-[(Z)-3-methylpent-1-enyl]sulfanylmethanamine
CID 146290137
2-butan-2-yl-6-methylocta-2,4-dien-1-amine
CID 88882583
(E)-4-methylhex-2-en-1-ol
CID 12036147
trimethyl-[(E)-3-methylpent-1-enyl]silane
CID 14792795

Frequently Asked Questions

What is the IUPAC name of ethane;methane;(Z)-4-methylhex-2-en-1-imine?
The IUPAC name of ethane;methane;(Z)-4-methylhex-2-en-1-imine (CID 178018442) is ethane;methane;(Z)-4-methylhex-2-en-1-imine.
What is the SMILES notation for ethane;methane;(Z)-4-methylhex-2-en-1-imine?
The canonical SMILES for ethane;methane;(Z)-4-methylhex-2-en-1-imine is C.CC.CC.[H]/N=C/C=C\C(C)CC.
What is the InChIKey of ethane;methane;(Z)-4-methylhex-2-en-1-imine?
The InChIKey is DFHVZDUNAUZYJU-WTGUCDEJSA-N. The full InChI is InChI=1S/C7H13N.2C2H6.CH4/c1-3-7(2)5-4-6-8;2*1-2;/h4-8H,3H2,1-2H3;2*1-2H3;1H4/b5-4-,8-6+;;;.
What are the key properties of ethane;methane;(Z)-4-methylhex-2-en-1-imine?
ethane;methane;(Z)-4-methylhex-2-en-1-imine has a molecular weight of 187.37 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;(Z)-4-methylhex-2-en-1-imine is sourced from PubChem (CID 178018442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).