N-(3,5-dimethyl-4-methylidenehex-5-en-2-yl)butan-2-imine

C13H23N — CID 126695537

IUPACN-(3,5-dimethyl-4-methylidenehex-5-en-2-yl)butan-2-imine
SMILESC=C(C)C(=C)C(C)C(C)/N=C(\C)CC
InChIInChI=1S/C13H23N/c1-8-10(4)14-13(7)12(6)11(5)9(2)3/h12-13H,2,5,8H2,1,3-4,6-7H3/b14-10+
InChIKeyJINMUPBLHVPVPQ-GXDHUFHOSA-N
MW193.33 g/mol
LogP4.01
Rot. Bonds5

About N-(3,5-dimethyl-4-methylidenehex-5-en-2-yl)butan-2-imine

N-(3,5-dimethyl-4-methylidenehex-5-en-2-yl)butan-2-imine (PubChem CID 126695537) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is N-(3,5-dimethyl-4-methylidenehex-5-en-2-yl)butan-2-imine.

Molecular Properties

Compound NameN-(3,5-dimethyl-4-methylidenehex-5-en-2-yl)butan-2-imine
PubChem CID126695537
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC NameN-(3,5-dimethyl-4-methylidenehex-5-en-2-yl)butan-2-imine
SMILESC=C(C)C(=C)C(C)C(C)/N=C(\C)CC
InChIInChI=1S/C13H23N/c1-8-10(4)14-13(7)12(6)11(5)9(2)3/h12-13H,2,5,8H2,1,3-4,6-7H3/b14-10+
InChIKeyJINMUPBLHVPVPQ-GXDHUFHOSA-N
XLogP4.01
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 54.01
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

3-ethyl-N,5,6-trimethylhept-6-en-2-imine
CID 89033580
4,5-dimethyl-2-prop-1-en-2-yl-3,4-dihydro-2H-pyrrole
CID 91316764
N-(2,5-dimethylhex-1-en-3-yl)-4,4-dimethylhexan-2-imine
CID 123459444
4-methyl-3-methylidene-N-(4-methylpentyl)pentan-2-imine
CID 123518939
4-methyl-N-(2-methylpent-1-en-3-yl)pentan-2-imine
CID 123575717
2,2-dimethyl-4-prop-1-en-2-yl-4,5-dihydro-3H-pyridine
CID 124015226
2,3,6-trimethyl-4-methylidene-5-propan-2-yl-3,5-dihydro-2H-pyridine
CID 126591328
3-heptyl-5-prop-1-en-2-yl-3,4-dihydro-2H-pyrrole
CID 129215632
5-Tert-butyl-4-methyl-3-methylidene-2,4-dihydropyrrole
CID 129288136
N-(4,4-dimethyl-5-methylideneheptan-2-yl)butan-2-imine
CID 134526755
2-methyl-N-(3-methyl-2-methylidenebutyl)hexan-3-imine
CID 135230937
5-ethyl-3-(2-methyl-4-methylideneheptan-3-yl)-3,4-dihydro-2H-pyrrole
CID 137453466

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-4-methylidenehex-5-en-2-yl)butan-2-imine?
The IUPAC name of N-(3,5-dimethyl-4-methylidenehex-5-en-2-yl)butan-2-imine (CID 126695537) is N-(3,5-dimethyl-4-methylidenehex-5-en-2-yl)butan-2-imine.
What is the SMILES notation for N-(3,5-dimethyl-4-methylidenehex-5-en-2-yl)butan-2-imine?
The canonical SMILES for N-(3,5-dimethyl-4-methylidenehex-5-en-2-yl)butan-2-imine is C=C(C)C(=C)C(C)C(C)/N=C(\C)CC.
What is the InChIKey of N-(3,5-dimethyl-4-methylidenehex-5-en-2-yl)butan-2-imine?
The InChIKey is JINMUPBLHVPVPQ-GXDHUFHOSA-N. The full InChI is InChI=1S/C13H23N/c1-8-10(4)14-13(7)12(6)11(5)9(2)3/h12-13H,2,5,8H2,1,3-4,6-7H3/b14-10+.
What are the key properties of N-(3,5-dimethyl-4-methylidenehex-5-en-2-yl)butan-2-imine?
N-(3,5-dimethyl-4-methylidenehex-5-en-2-yl)butan-2-imine has a molecular weight of 193.33 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-4-methylidenehex-5-en-2-yl)butan-2-imine is sourced from PubChem (CID 126695537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).