(Z)-2-methyl-N-(3-methylbut-1-en-2-yl)hex-4-en-3-imine

C12H21N — CID 130348007

IUPAC(Z)-2-methyl-N-(3-methylbut-1-en-2-yl)hex-4-en-3-imine
SMILESC=C(/N=C(/C=C\C)C(C)C)C(C)C
InChIInChI=1S/C12H21N/c1-7-8-12(10(4)5)13-11(6)9(2)3/h7-10H,6H2,1-5H3/b8-7-,13-12-
InChIKeyMMLAJTGTRGNOAV-QOTUMQCOSA-N
MW179.31 g/mol
LogP3.83
Rot. Bonds4

About (Z)-2-methyl-N-(3-methylbut-1-en-2-yl)hex-4-en-3-imine

(Z)-2-methyl-N-(3-methylbut-1-en-2-yl)hex-4-en-3-imine (PubChem CID 130348007) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is (Z)-2-methyl-N-(3-methylbut-1-en-2-yl)hex-4-en-3-imine.

Molecular Properties

Compound Name(Z)-2-methyl-N-(3-methylbut-1-en-2-yl)hex-4-en-3-imine
PubChem CID130348007
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name(Z)-2-methyl-N-(3-methylbut-1-en-2-yl)hex-4-en-3-imine
SMILESC=C(/N=C(/C=C\C)C(C)C)C(C)C
InChIInChI=1S/C12H21N/c1-7-8-12(10(4)5)13-11(6)9(2)3/h7-10H,6H2,1-5H3/b8-7-,13-12-
InChIKeyMMLAJTGTRGNOAV-QOTUMQCOSA-N
XLogP3.83
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.83
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

2-(3-methylbut-1-en-2-yl)guanidine
CID 129238446
(Z)-1-[[(Z)-2-methylhex-4-en-3-ylidene]amino]prop-1-en-2-amine
CID 155330670
(Z)-1,1-difluoro-N-methylpent-3-en-2-imine
CID 138552264
(2E,5Z)-8-methyl-4,7-dimethylidenenona-2,5-diene;hydroiodide
CID 143788216
7-methyl-4-methylideneocta-2,5-diene
CID 123740192
(3E)-N-propan-2-ylpenta-1,3-dien-2-amine
CID 126549325
(3E)-5-fluoro-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol
CID 167213981
(3E)-N-methyl-N-propan-2-ylpenta-1,3-dien-2-amine
CID 130272029
(Z)-5-methyl-4-methylidenehept-2-ene
CID 142042502
(1Z,3Z)-N-(methylideneamino)-2-propan-2-ylpenta-1,3-dien-1-amine
CID 155407635
ethane;(3E)-2-methylpenta-1,3-diene
CID 143682849
ethane;(3Z)-2-methylpenta-1,3-diene
CID 142023424

Frequently Asked Questions

What is the IUPAC name of (Z)-2-methyl-N-(3-methylbut-1-en-2-yl)hex-4-en-3-imine?
The IUPAC name of (Z)-2-methyl-N-(3-methylbut-1-en-2-yl)hex-4-en-3-imine (CID 130348007) is (Z)-2-methyl-N-(3-methylbut-1-en-2-yl)hex-4-en-3-imine.
What is the SMILES notation for (Z)-2-methyl-N-(3-methylbut-1-en-2-yl)hex-4-en-3-imine?
The canonical SMILES for (Z)-2-methyl-N-(3-methylbut-1-en-2-yl)hex-4-en-3-imine is C=C(/N=C(/C=C\C)C(C)C)C(C)C.
What is the InChIKey of (Z)-2-methyl-N-(3-methylbut-1-en-2-yl)hex-4-en-3-imine?
The InChIKey is MMLAJTGTRGNOAV-QOTUMQCOSA-N. The full InChI is InChI=1S/C12H21N/c1-7-8-12(10(4)5)13-11(6)9(2)3/h7-10H,6H2,1-5H3/b8-7-,13-12-.
What are the key properties of (Z)-2-methyl-N-(3-methylbut-1-en-2-yl)hex-4-en-3-imine?
(Z)-2-methyl-N-(3-methylbut-1-en-2-yl)hex-4-en-3-imine has a molecular weight of 179.31 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methyl-N-(3-methylbut-1-en-2-yl)hex-4-en-3-imine is sourced from PubChem (CID 130348007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).