1-(2,4-dimethylcyclohepta-1,6-dien-1-yl)-N-methylpropan-1-imine

C13H21N — CID 123946534

IUPAC1-(2,4-dimethylcyclohepta-1,6-dien-1-yl)-N-methylpropan-1-imine
SMILESCC/C(=N\C)C1=C(C)CC(C)CC=C1
InChIInChI=1S/C13H21N/c1-5-13(14-4)12-8-6-7-10(2)9-11(12)3/h6,8,10H,5,7,9H2,1-4H3/b14-13+
InChIKeyUBEKDYKNLNMMGX-BUHFOSPRSA-N
MW191.32 g/mol
LogP3.77
Rot. Bonds2

About 1-(2,4-dimethylcyclohepta-1,6-dien-1-yl)-N-methylpropan-1-imine

1-(2,4-dimethylcyclohepta-1,6-dien-1-yl)-N-methylpropan-1-imine (PubChem CID 123946534) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 1-(2,4-dimethylcyclohepta-1,6-dien-1-yl)-N-methylpropan-1-imine.

Molecular Properties

Compound Name1-(2,4-dimethylcyclohepta-1,6-dien-1-yl)-N-methylpropan-1-imine
PubChem CID123946534
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name1-(2,4-dimethylcyclohepta-1,6-dien-1-yl)-N-methylpropan-1-imine
SMILESCC/C(=N\C)C1=C(C)CC(C)CC=C1
InChIInChI=1S/C13H21N/c1-5-13(14-4)12-8-6-7-10(2)9-11(12)3/h6,8,10H,5,7,9H2,1-4H3/b14-13+
InChIKeyUBEKDYKNLNMMGX-BUHFOSPRSA-N
XLogP3.77
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.77
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

2,5-di(propan-2-yl)-3H-azepine
CID 10241356
N,6-di(propan-2-yl)cyclohexa-2,4-dien-1-imine
CID 58916542
1-cyclohexa-1,3-dien-1-yl-N-methylethanimine
CID 59809510
2,5-dimethyl-3-(2-methylpropyl)-3H-azepine
CID 67560504
(6Z)-6-[(2,4-dimethylcyclobutyl)methylidene]-N-methylcyclohexa-2,4-dien-1-imine
CID 68261447
(3E,6Z)-4-ethyl-N-methyl-5-methylidenenona-3,6,8-trien-2-imine
CID 88575967
(6Z)-N-methyl-2-propan-2-yl-6-prop-2-enylidenecyclohexan-1-imine
CID 88874929
(3Z)-3-ethenyl-N,6-dimethyl-5-methylidenehepta-3,6-dien-2-imine
CID 89033543
(4Z)-N-methyl-3-propan-2-ylidenehepta-4,6-dien-2-imine
CID 89376422
1-cyclohepta-1,3,6-trien-1-yl-N-methylethanimine
CID 90360570
(3S)-3-methyl-7-[(4S)-4-methylcyclohepta-1,6-dien-1-yl]-3,4-dihydro-2H-azepine
CID 90396298
(1Z)-7-methyl-9-azabicyclo[6.5.0]trideca-1,3,8-triene
CID 90700421

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylcyclohepta-1,6-dien-1-yl)-N-methylpropan-1-imine?
The IUPAC name of 1-(2,4-dimethylcyclohepta-1,6-dien-1-yl)-N-methylpropan-1-imine (CID 123946534) is 1-(2,4-dimethylcyclohepta-1,6-dien-1-yl)-N-methylpropan-1-imine.
What is the SMILES notation for 1-(2,4-dimethylcyclohepta-1,6-dien-1-yl)-N-methylpropan-1-imine?
The canonical SMILES for 1-(2,4-dimethylcyclohepta-1,6-dien-1-yl)-N-methylpropan-1-imine is CC/C(=N\C)C1=C(C)CC(C)CC=C1.
What is the InChIKey of 1-(2,4-dimethylcyclohepta-1,6-dien-1-yl)-N-methylpropan-1-imine?
The InChIKey is UBEKDYKNLNMMGX-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H21N/c1-5-13(14-4)12-8-6-7-10(2)9-11(12)3/h6,8,10H,5,7,9H2,1-4H3/b14-13+.
What are the key properties of 1-(2,4-dimethylcyclohepta-1,6-dien-1-yl)-N-methylpropan-1-imine?
1-(2,4-dimethylcyclohepta-1,6-dien-1-yl)-N-methylpropan-1-imine has a molecular weight of 191.32 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylcyclohepta-1,6-dien-1-yl)-N-methylpropan-1-imine is sourced from PubChem (CID 123946534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).