N-(1-cyclopropylethyl)-1-(4-methylcyclohexa-1,5-dien-1-yl)methanimine

C13H19N — CID 123931706

IUPACN-(1-cyclopropylethyl)-1-(4-methylcyclohexa-1,5-dien-1-yl)methanimine
SMILESCC1C=CC(/C=N/C(C)C2CC2)=CC1
InChIInChI=1S/C13H19N/c1-10-3-5-12(6-4-10)9-14-11(2)13-7-8-13/h3,5-6,9-11,13H,4,7-8H2,1-2H3/b14-9+
InChIKeyAKRHVUMHXVXCCR-NTEUORMPSA-N
MW189.30 g/mol
LogP3.38
Rot. Bonds3

About N-(1-cyclopropylethyl)-1-(4-methylcyclohexa-1,5-dien-1-yl)methanimine

N-(1-cyclopropylethyl)-1-(4-methylcyclohexa-1,5-dien-1-yl)methanimine (PubChem CID 123931706) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-1-(4-methylcyclohexa-1,5-dien-1-yl)methanimine.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-1-(4-methylcyclohexa-1,5-dien-1-yl)methanimine
PubChem CID123931706
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC NameN-(1-cyclopropylethyl)-1-(4-methylcyclohexa-1,5-dien-1-yl)methanimine
SMILESCC1C=CC(/C=N/C(C)C2CC2)=CC1
InChIInChI=1S/C13H19N/c1-10-3-5-12(6-4-10)9-14-11(2)13-7-8-13/h3,5-6,9-11,13H,4,7-8H2,1-2H3/b14-9+
InChIKeyAKRHVUMHXVXCCR-NTEUORMPSA-N
XLogP3.38
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.38
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

1,4-Dimethyl-1,8a-dihydroisoquinoline
CID 67987318
N-methyl-1-(4-methylcyclohexa-1,5-dien-1-yl)methanimine
CID 68026969
(2Z)-2-cyclopropyl-N-methylpenta-2,4-dien-1-imine
CID 88225763
(Z,2E)-N,6-dimethyl-2-propylidenehept-3-en-1-imine
CID 88562301
5-Cyclopropyl-2-methyl-2,3-dihydropyridine
CID 88986990
5-Propan-2-yl-2-propyl-2,3-dihydropyridine
CID 89592567
3-Propylidene-3a,7a-dihydroindole
CID 91496086
5-Cyclopropyl-2-propyl-2,3-dihydropyridine
CID 123324115
1-[5,6-di(ethylidene)-2-prop-1-enylcyclohexa-1,3-dien-1-yl]-N-methylmethanimine
CID 123656754
(2E)-2-cyclohexa-2,4-dien-1-ylidene-2-cyclopropyl-N-ethylethanimine
CID 129107475
N-[(E)-but-2-enyl]-1-[(4S)-4-methylcyclohexa-1,5-dien-1-yl]methanimine
CID 129208631
(2Z,3Z,5Z)-2-ethylidene-N,7-dimethylnona-3,5-dien-1-imine
CID 132215151

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-1-(4-methylcyclohexa-1,5-dien-1-yl)methanimine?
The IUPAC name of N-(1-cyclopropylethyl)-1-(4-methylcyclohexa-1,5-dien-1-yl)methanimine (CID 123931706) is N-(1-cyclopropylethyl)-1-(4-methylcyclohexa-1,5-dien-1-yl)methanimine.
What is the SMILES notation for N-(1-cyclopropylethyl)-1-(4-methylcyclohexa-1,5-dien-1-yl)methanimine?
The canonical SMILES for N-(1-cyclopropylethyl)-1-(4-methylcyclohexa-1,5-dien-1-yl)methanimine is CC1C=CC(/C=N/C(C)C2CC2)=CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-1-(4-methylcyclohexa-1,5-dien-1-yl)methanimine?
The InChIKey is AKRHVUMHXVXCCR-NTEUORMPSA-N. The full InChI is InChI=1S/C13H19N/c1-10-3-5-12(6-4-10)9-14-11(2)13-7-8-13/h3,5-6,9-11,13H,4,7-8H2,1-2H3/b14-9+.
What are the key properties of N-(1-cyclopropylethyl)-1-(4-methylcyclohexa-1,5-dien-1-yl)methanimine?
N-(1-cyclopropylethyl)-1-(4-methylcyclohexa-1,5-dien-1-yl)methanimine has a molecular weight of 189.30 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-1-(4-methylcyclohexa-1,5-dien-1-yl)methanimine is sourced from PubChem (CID 123931706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).