(Z)-N-(2,4-dimethylpentyl)-2-methylbut-2-en-1-imine

C12H23N — CID 89091979

IUPAC(Z)-N-(2,4-dimethylpentyl)-2-methylbut-2-en-1-imine
SMILESC/C=C(C)\C=N\CC(C)CC(C)C
InChIInChI=1S/C12H23N/c1-6-11(4)8-13-9-12(5)7-10(2)3/h6,8,10,12H,7,9H2,1-5H3/b11-6-,13-8+
InChIKeyLPSDPSCQPDEHMV-DBPBRXMJSA-N
MW181.32 g/mol
LogP3.71
Rot. Bonds5

About (Z)-N-(2,4-dimethylpentyl)-2-methylbut-2-en-1-imine

(Z)-N-(2,4-dimethylpentyl)-2-methylbut-2-en-1-imine (PubChem CID 89091979) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is (Z)-N-(2,4-dimethylpentyl)-2-methylbut-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-(2,4-dimethylpentyl)-2-methylbut-2-en-1-imine
PubChem CID89091979
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name(Z)-N-(2,4-dimethylpentyl)-2-methylbut-2-en-1-imine
SMILESC/C=C(C)\C=N\CC(C)CC(C)C
InChIInChI=1S/C12H23N/c1-6-11(4)8-13-9-12(5)7-10(2)3/h6,8,10,12H,7,9H2,1-5H3/b11-6-,13-8+
InChIKeyLPSDPSCQPDEHMV-DBPBRXMJSA-N
XLogP3.71
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,4-dimethylpentyl)-N-ethylidenemethanimidamide
CID 88904724
(Z)-N-[(2R)-butan-2-yl]-2-methylbut-2-en-1-imine
CID 89321973
2,4-dimethyl-1-nitrosopentane
CID 143544578
N-[(2R)-2,4-dimethylhexyl]-2-methylidenebutan-1-imine
CID 139551304
2,4,6,8,10,12,14,16,18,20-decamethylhenicosane
CID 123384520
(4R,8R)-2,4,6,8,10-pentamethylundecane
CID 134836322
propane;2,4,6-trimethylheptane
CID 165013878
acetylene;2,4,6-trimethylheptane
CID 144531255
6,8-dimethylnon-3-en-2-one
CID 54414003
(2Z,4Z)-4-bromo-N-ethyl-2-methylhexa-2,4-dien-1-imine
CID 166661835
(2S,4R)-2,4,6-trimethylheptan-1-ol
CID 13109020
(4S)-2,4-dimethylhexane
CID 22810193

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(2,4-dimethylpentyl)-2-methylbut-2-en-1-imine?
The IUPAC name of (Z)-N-(2,4-dimethylpentyl)-2-methylbut-2-en-1-imine (CID 89091979) is (Z)-N-(2,4-dimethylpentyl)-2-methylbut-2-en-1-imine.
What is the SMILES notation for (Z)-N-(2,4-dimethylpentyl)-2-methylbut-2-en-1-imine?
The canonical SMILES for (Z)-N-(2,4-dimethylpentyl)-2-methylbut-2-en-1-imine is C/C=C(C)\C=N\CC(C)CC(C)C.
What is the InChIKey of (Z)-N-(2,4-dimethylpentyl)-2-methylbut-2-en-1-imine?
The InChIKey is LPSDPSCQPDEHMV-DBPBRXMJSA-N. The full InChI is InChI=1S/C12H23N/c1-6-11(4)8-13-9-12(5)7-10(2)3/h6,8,10,12H,7,9H2,1-5H3/b11-6-,13-8+.
What are the key properties of (Z)-N-(2,4-dimethylpentyl)-2-methylbut-2-en-1-imine?
(Z)-N-(2,4-dimethylpentyl)-2-methylbut-2-en-1-imine has a molecular weight of 181.32 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2,4-dimethylpentyl)-2-methylbut-2-en-1-imine is sourced from PubChem (CID 89091979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).