N-[(3Z)-2,5-dimethylhexa-3,5-dien-3-yl]-3-methylbutan-2-imine

C13H23N — CID 129067903

IUPACN-[(3Z)-2,5-dimethylhexa-3,5-dien-3-yl]-3-methylbutan-2-imine
SMILESC=C(C)/C=C(\N=C(/C)C(C)C)C(C)C
InChIInChI=1S/C13H23N/c1-9(2)8-13(11(5)6)14-12(7)10(3)4/h8,10-11H,1H2,2-7H3/b13-8-,14-12+
InChIKeyKIQKMCPUFRVMLI-BEDYTIOTSA-N
MW193.33 g/mol
LogP4.22
Rot. Bonds4

About N-[(3Z)-2,5-dimethylhexa-3,5-dien-3-yl]-3-methylbutan-2-imine

N-[(3Z)-2,5-dimethylhexa-3,5-dien-3-yl]-3-methylbutan-2-imine (PubChem CID 129067903) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is N-[(3Z)-2,5-dimethylhexa-3,5-dien-3-yl]-3-methylbutan-2-imine.

Molecular Properties

Compound NameN-[(3Z)-2,5-dimethylhexa-3,5-dien-3-yl]-3-methylbutan-2-imine
PubChem CID129067903
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC NameN-[(3Z)-2,5-dimethylhexa-3,5-dien-3-yl]-3-methylbutan-2-imine
SMILESC=C(C)/C=C(\N=C(/C)C(C)C)C(C)C
InChIInChI=1S/C13H23N/c1-9(2)8-13(11(5)6)14-12(7)10(3)4/h8,10-11H,1H2,2-7H3/b13-8-,14-12+
InChIKeyKIQKMCPUFRVMLI-BEDYTIOTSA-N
XLogP4.22
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(2E,4Z)-1-fluoro-3-methylhepta-2,4,6-trien-2-yl]-3-methylbutan-2-imine
CID 170144865
(4E,6Z)-N-[(Z)-but-2-en-2-yl]-5-fluoro-6-methylocta-4,6-dien-3-imine
CID 177040457
N-[(2E,4E)-4-fluoro-3-prop-1-en-2-ylocta-2,4-dien-2-yl]butan-2-imine
CID 145143946
(4E,6Z)-N-[(Z)-but-2-en-2-yl]-4-fluoro-6-methylocta-4,6-dien-3-imine
CID 177040437
(5E,7Z)-N-[(Z)-but-2-en-2-yl]-7-ethyl-5-fluoro-3-methylnona-5,7-dien-4-imine
CID 177041311
N-[(Z)-4,4-dimethylpent-2-en-2-yl]-3,3-dimethylbutan-2-imine
CID 59179919
N-[(Z)-3,4-dimethylpent-2-en-2-yl]-3-methylbutan-2-imine
CID 59879256
2,3-dimethyl-5-propan-2-yl-3H-pyrrole
CID 68404427
2,5-Di(propan-2-yl)cyclopenta[b]pyrrole
CID 69966519
N-[(4Z)-2,6-dimethylhepta-2,4,6-trien-3-yl]propan-2-imine
CID 88529325
(3Z)-4-methyl-N-prop-1-en-2-ylhexa-3,5-dien-2-imine
CID 88576597
3-methyl-N-[(Z)-4-methylpent-2-en-3-yl]butan-2-imine
CID 88884465

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-2,5-dimethylhexa-3,5-dien-3-yl]-3-methylbutan-2-imine?
The IUPAC name of N-[(3Z)-2,5-dimethylhexa-3,5-dien-3-yl]-3-methylbutan-2-imine (CID 129067903) is N-[(3Z)-2,5-dimethylhexa-3,5-dien-3-yl]-3-methylbutan-2-imine.
What is the SMILES notation for N-[(3Z)-2,5-dimethylhexa-3,5-dien-3-yl]-3-methylbutan-2-imine?
The canonical SMILES for N-[(3Z)-2,5-dimethylhexa-3,5-dien-3-yl]-3-methylbutan-2-imine is C=C(C)/C=C(\N=C(/C)C(C)C)C(C)C.
What is the InChIKey of N-[(3Z)-2,5-dimethylhexa-3,5-dien-3-yl]-3-methylbutan-2-imine?
The InChIKey is KIQKMCPUFRVMLI-BEDYTIOTSA-N. The full InChI is InChI=1S/C13H23N/c1-9(2)8-13(11(5)6)14-12(7)10(3)4/h8,10-11H,1H2,2-7H3/b13-8-,14-12+.
What are the key properties of N-[(3Z)-2,5-dimethylhexa-3,5-dien-3-yl]-3-methylbutan-2-imine?
N-[(3Z)-2,5-dimethylhexa-3,5-dien-3-yl]-3-methylbutan-2-imine has a molecular weight of 193.33 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-2,5-dimethylhexa-3,5-dien-3-yl]-3-methylbutan-2-imine is sourced from PubChem (CID 129067903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).