N,3-dimethyl-4-propan-2-ylhept-2-en-1-imine

C12H23N — CID 123269754

IUPACN,3-dimethyl-4-propan-2-ylhept-2-en-1-imine
SMILESCCCC(C(C)=C/C=N/C)C(C)C
InChIInChI=1S/C12H23N/c1-6-7-12(10(2)3)11(4)8-9-13-5/h8-10,12H,6-7H2,1-5H3/b11-8?,13-9+
InChIKeyHFTRIQQAHGOHJP-JGVUFJOKSA-N
MW181.32 g/mol
LogP3.71
Rot. Bonds5

About N,3-dimethyl-4-propan-2-ylhept-2-en-1-imine

N,3-dimethyl-4-propan-2-ylhept-2-en-1-imine (PubChem CID 123269754) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N,3-dimethyl-4-propan-2-ylhept-2-en-1-imine.

Molecular Properties

Compound NameN,3-dimethyl-4-propan-2-ylhept-2-en-1-imine
PubChem CID123269754
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN,3-dimethyl-4-propan-2-ylhept-2-en-1-imine
SMILESCCCC(C(C)=C/C=N/C)C(C)C
InChIInChI=1S/C12H23N/c1-6-7-12(10(2)3)11(4)8-9-13-5/h8-10,12H,6-7H2,1-5H3/b11-8?,13-9+
InChIKeyHFTRIQQAHGOHJP-JGVUFJOKSA-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

(Z,5S)-N-ethyl-5-fluoro-6-methylhept-2-en-1-imine
CID 129037792
(2E)-2-ethylidene-3,3-difluoro-N,4-dimethylhexan-1-imine
CID 166919456
(2Z,6Z)-2-fluoro-5-methyl-6-propyl-4,5-dihydroazocine
CID 173678457
2-Isopropyl-2-ethyl-4-methylpyrrole
CID 129786814
(E)-N,5-dimethyl-4-propan-2-ylhex-2-en-1-imine
CID 134895402
N-tert-butyl-3,7-dimethyloct-6-en-1-imine
CID 20591843
2,3-Di(propan-2-yl)-2,3-dihydropyridine
CID 59427901
(Z)-3-cyclopentyl-N-methylprop-2-en-1-imine
CID 59910597
(Z)-3-(2,4-dimethylcyclobutyl)-N,2-dimethylprop-2-en-1-imine
CID 68249452
3,6-dimethyl-4-propan-2-yl-3,4-dihydro-2H-azepine
CID 68344127
3-methyl-2-propan-2-yl-3,4-dihydro-2H-azepine
CID 69923477
(5E,9E)-3-butyl-1-azacyclododeca-1,5,9-triene
CID 70595591

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-4-propan-2-ylhept-2-en-1-imine?
The IUPAC name of N,3-dimethyl-4-propan-2-ylhept-2-en-1-imine (CID 123269754) is N,3-dimethyl-4-propan-2-ylhept-2-en-1-imine.
What is the SMILES notation for N,3-dimethyl-4-propan-2-ylhept-2-en-1-imine?
The canonical SMILES for N,3-dimethyl-4-propan-2-ylhept-2-en-1-imine is CCCC(C(C)=C/C=N/C)C(C)C.
What is the InChIKey of N,3-dimethyl-4-propan-2-ylhept-2-en-1-imine?
The InChIKey is HFTRIQQAHGOHJP-JGVUFJOKSA-N. The full InChI is InChI=1S/C12H23N/c1-6-7-12(10(2)3)11(4)8-9-13-5/h8-10,12H,6-7H2,1-5H3/b11-8?,13-9+.
What are the key properties of N,3-dimethyl-4-propan-2-ylhept-2-en-1-imine?
N,3-dimethyl-4-propan-2-ylhept-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 N,3-dimethyl-4-propan-2-ylhept-2-en-1-imine is sourced from PubChem (CID 123269754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).