ethane;3-methyl-N-[(Z)-prop-1-enyl]butan-2-imine

C12H27N — CID 142062896

IUPACethane;3-methyl-N-[(Z)-prop-1-enyl]butan-2-imine
SMILESC/C=C\N=C(/C)C(C)C.CC.CC
InChIInChI=1S/C8H15N.2C2H6/c1-5-6-9-8(4)7(2)3;2*1-2/h5-7H,1-4H3;2*1-2H3/b6-5-,9-8+;;
InChIKeyXFMQGGQTCGJVHO-CYJBBDJJSA-N
MW185.35 g/mol
LogP4.69
Rot. Bonds2

About ethane;3-methyl-N-[(Z)-prop-1-enyl]butan-2-imine

ethane;3-methyl-N-[(Z)-prop-1-enyl]butan-2-imine (PubChem CID 142062896) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is ethane;3-methyl-N-[(Z)-prop-1-enyl]butan-2-imine.

Molecular Properties

Compound Nameethane;3-methyl-N-[(Z)-prop-1-enyl]butan-2-imine
PubChem CID142062896
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC Nameethane;3-methyl-N-[(Z)-prop-1-enyl]butan-2-imine
SMILESC/C=C\N=C(/C)C(C)C.CC.CC
InChIInChI=1S/C8H15N.2C2H6/c1-5-6-9-8(4)7(2)3;2*1-2/h5-7H,1-4H3;2*1-2H3/b6-5-,9-8+;;
InChIKeyXFMQGGQTCGJVHO-CYJBBDJJSA-N
XLogP4.69
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethane;3-methyl-N-[(Z)-prop-1-enyl]butan-2-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

N-[(1E)-2-fluorobuta-1,3-dienyl]-3-methylpentan-2-imine
CID 123854276
1,1-difluoro-3-methyl-N-[(Z)-3-methylbut-1-enyl]butan-2-imine
CID 139305458
N-[(1E)-2-fluorobuta-1,3-dienyl]-3-methylbutan-2-imine
CID 170732083
butan-2-one N-(buta-1,3-dienyl)imine
CID 129873688
N-[(Z)-prop-1-enyl]butan-2-imine
CID 11126202
2,3-dimethyl-3H-pyrrole
CID 17769177
3-methyl-N-(2-methylprop-1-enyl)butan-2-imine
CID 57823839
N-[(Z)-3,3-dimethylbut-1-enyl]-3,3-dimethylbutan-2-imine
CID 59179945
2-propan-2-yl-5H-1,4-diazepine
CID 68166043
(2E)-N-(Prop-1-en-1-yl)butan-2-imine
CID 71349500
N-[(E)-prop-1-enyl]butan-2-imine
CID 87071406
N-[(Z)-but-1-enyl]-2-methylbutan-1-imine
CID 88060174

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-N-[(Z)-prop-1-enyl]butan-2-imine?
The IUPAC name of ethane;3-methyl-N-[(Z)-prop-1-enyl]butan-2-imine (CID 142062896) is ethane;3-methyl-N-[(Z)-prop-1-enyl]butan-2-imine.
What is the SMILES notation for ethane;3-methyl-N-[(Z)-prop-1-enyl]butan-2-imine?
The canonical SMILES for ethane;3-methyl-N-[(Z)-prop-1-enyl]butan-2-imine is C/C=C\N=C(/C)C(C)C.CC.CC.
What is the InChIKey of ethane;3-methyl-N-[(Z)-prop-1-enyl]butan-2-imine?
The InChIKey is XFMQGGQTCGJVHO-CYJBBDJJSA-N. The full InChI is InChI=1S/C8H15N.2C2H6/c1-5-6-9-8(4)7(2)3;2*1-2/h5-7H,1-4H3;2*1-2H3/b6-5-,9-8+;;.
What are the key properties of ethane;3-methyl-N-[(Z)-prop-1-enyl]butan-2-imine?
ethane;3-methyl-N-[(Z)-prop-1-enyl]butan-2-imine has a molecular weight of 185.35 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-N-[(Z)-prop-1-enyl]butan-2-imine is sourced from PubChem (CID 142062896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).