N-(3-methylhexa-1,3-dien-2-yl)butan-2-imine

C11H19N — CID 123792921

IUPACN-(3-methylhexa-1,3-dien-2-yl)butan-2-imine
SMILESC=C(/N=C(\C)CC)C(C)=CCC
InChIInChI=1S/C11H19N/c1-6-8-9(3)11(5)12-10(4)7-2/h8H,5-7H2,1-4H3/b9-8?,12-10+
InChIKeyMHGXQZVNDPBDRJ-HYSGBWKPSA-N
MW165.28 g/mol
LogP3.73
Rot. Bonds4

About N-(3-methylhexa-1,3-dien-2-yl)butan-2-imine

N-(3-methylhexa-1,3-dien-2-yl)butan-2-imine (PubChem CID 123792921) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N-(3-methylhexa-1,3-dien-2-yl)butan-2-imine.

Molecular Properties

Compound NameN-(3-methylhexa-1,3-dien-2-yl)butan-2-imine
PubChem CID123792921
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN-(3-methylhexa-1,3-dien-2-yl)butan-2-imine
SMILESC=C(/N=C(\C)CC)C(C)=CCC
InChIInChI=1S/C11H19N/c1-6-8-9(3)11(5)12-10(4)7-2/h8H,5-7H2,1-4H3/b9-8?,12-10+
InChIKeyMHGXQZVNDPBDRJ-HYSGBWKPSA-N
XLogP3.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.73
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-(5-fluoro-3,6-dimethylnona-1,3,5-trien-2-yl)propan-2-imine
CID 123669970
(E)-5-fluoro-3-methylidene-N-pent-1-en-2-ylhex-4-en-2-imine
CID 145128279
N-(4-fluoro-6-methylcyclohexa-1,5-dien-1-yl)propan-2-imine
CID 155402655
(4E,6Z)-N-[(Z)-but-2-en-2-yl]-5-fluoro-6-methylocta-4,6-dien-3-imine
CID 177040457
2,4,6-Trimethyl-1-azacyclohepta-2,4,6,7-tetraene
CID 71347975
N-[(3Z,5Z,7E)-7-fluoro-3-methylnona-3,5,7-trien-4-yl]butan-2-imine
CID 142507841
N-[(3Z,6E,8Z)-7-fluoro-8-methyl-5-methylidenedeca-1,3,6,8-tetraen-4-yl]propan-2-imine
CID 143736303
N-[(2E,4E)-4-fluoro-3-prop-1-en-2-ylocta-2,4-dien-2-yl]butan-2-imine
CID 145143946
N-[(2E,4E,6E)-1,1,1-trifluoro-2,6-dimethyldeca-2,4,6-trien-5-yl]pentan-2-imine
CID 153345353
N-[(2E,4E,6E)-6-methyl-3-(trifluoromethyl)deca-2,4,6-trien-5-yl]pentan-2-imine
CID 153345807
N-[(2E)-3-fluoro-4-methylpenta-2,4-dien-2-yl]pentan-2-imine
CID 168972356
N-[(2Z)-4-(trifluoromethyl)penta-2,4-dien-2-yl]pentan-2-imine
CID 168972577

Frequently Asked Questions

What is the IUPAC name of N-(3-methylhexa-1,3-dien-2-yl)butan-2-imine?
The IUPAC name of N-(3-methylhexa-1,3-dien-2-yl)butan-2-imine (CID 123792921) is N-(3-methylhexa-1,3-dien-2-yl)butan-2-imine.
What is the SMILES notation for N-(3-methylhexa-1,3-dien-2-yl)butan-2-imine?
The canonical SMILES for N-(3-methylhexa-1,3-dien-2-yl)butan-2-imine is C=C(/N=C(\C)CC)C(C)=CCC.
What is the InChIKey of N-(3-methylhexa-1,3-dien-2-yl)butan-2-imine?
The InChIKey is MHGXQZVNDPBDRJ-HYSGBWKPSA-N. The full InChI is InChI=1S/C11H19N/c1-6-8-9(3)11(5)12-10(4)7-2/h8H,5-7H2,1-4H3/b9-8?,12-10+.
What are the key properties of N-(3-methylhexa-1,3-dien-2-yl)butan-2-imine?
N-(3-methylhexa-1,3-dien-2-yl)butan-2-imine has a molecular weight of 165.28 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylhexa-1,3-dien-2-yl)butan-2-imine is sourced from PubChem (CID 123792921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).