4-(3-cyclohepta-1,6-dien-1-ylpropyl)-N-methylcyclohex-2-en-1-imine

C17H25N — CID 123586387

IUPAC4-(3-cyclohepta-1,6-dien-1-ylpropyl)-N-methylcyclohex-2-en-1-imine
SMILESC/N=C1\C=CC(CCCC2=CCCCC=C2)CC1
InChIInChI=1S/C17H25N/c1-18-17-13-11-16(12-14-17)10-6-9-15-7-4-2-3-5-8-15/h4,7-8,11,13,16H,2-3,5-6,9-10,12,14H2,1H3/b18-17+
InChIKeyNBPSMCIJRSRVPW-ISLYRVAYSA-N
MW243.39 g/mol
LogP4.86
Rot. Bonds4

About 4-(3-cyclohepta-1,6-dien-1-ylpropyl)-N-methylcyclohex-2-en-1-imine

4-(3-cyclohepta-1,6-dien-1-ylpropyl)-N-methylcyclohex-2-en-1-imine (PubChem CID 123586387) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 4-(3-cyclohepta-1,6-dien-1-ylpropyl)-N-methylcyclohex-2-en-1-imine.

Molecular Properties

Compound Name4-(3-cyclohepta-1,6-dien-1-ylpropyl)-N-methylcyclohex-2-en-1-imine
PubChem CID123586387
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name4-(3-cyclohepta-1,6-dien-1-ylpropyl)-N-methylcyclohex-2-en-1-imine
SMILESC/N=C1\C=CC(CCCC2=CCCCC=C2)CC1
InChIInChI=1S/C17H25N/c1-18-17-13-11-16(12-14-17)10-6-9-15-7-4-2-3-5-8-15/h4,7-8,11,13,16H,2-3,5-6,9-10,12,14H2,1H3/b18-17+
InChIKeyNBPSMCIJRSRVPW-ISLYRVAYSA-N
XLogP4.86
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.86
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

CID 6445873
CID 6445873
5-[1-[2,3-Dimethyl-4-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]ethyl]-2-methyl-3,4-dihydropyridine
CID 123280534
(6Z)-6-ethylidene-4-fluoro-5-heptan-3-yl-N-methylcyclohex-2-en-1-imine
CID 123416100
[4-Ethyl-6-(2-fluorocyclohepta-2,4,5-trien-1-yl)-2,4-dimethyl-1-(5-methylcyclohepta-1,3,6-trien-1-yl)hexylidene]-dimethylazanium
CID 124009904
1-[(5S)-4-ethyl-5-fluorocyclohex-3-en-1-yl]-N-methylethanimine
CID 126545859
(6Z)-10-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)undeca-1,6-dien-5-imine
CID 153399956
(5Z,7E)-N-ethyl-8-fluoro-2,4-dimethyl-5-(2-methylbutyl)nona-5,7-dien-3-imine
CID 170260209
(8E,10Z)-6-ethyl-9-fluoro-N,7-dimethyldodeca-8,10-dien-5-imine
CID 143491167
(8E,10Z)-6-ethyl-9-fluoro-N-methyl-7-methylidenedodeca-8,10-dien-5-imine
CID 143491216
5-[(E)-but-1-enyl]-3-methyl-3,4,6,7-tetrahydro-2H-cyclopenta[b]pyridine
CID 162980508
18-Methyl-8-azatetracyclo[13.5.0.01,6.09,14]icosa-3,5,8,10,12,14-hexaene
CID 20160460
N-methyl-3,4-di(propan-2-yl)cyclohex-2-en-1-imine
CID 20631046

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclohepta-1,6-dien-1-ylpropyl)-N-methylcyclohex-2-en-1-imine?
The IUPAC name of 4-(3-cyclohepta-1,6-dien-1-ylpropyl)-N-methylcyclohex-2-en-1-imine (CID 123586387) is 4-(3-cyclohepta-1,6-dien-1-ylpropyl)-N-methylcyclohex-2-en-1-imine.
What is the SMILES notation for 4-(3-cyclohepta-1,6-dien-1-ylpropyl)-N-methylcyclohex-2-en-1-imine?
The canonical SMILES for 4-(3-cyclohepta-1,6-dien-1-ylpropyl)-N-methylcyclohex-2-en-1-imine is C/N=C1\C=CC(CCCC2=CCCCC=C2)CC1.
What is the InChIKey of 4-(3-cyclohepta-1,6-dien-1-ylpropyl)-N-methylcyclohex-2-en-1-imine?
The InChIKey is NBPSMCIJRSRVPW-ISLYRVAYSA-N. The full InChI is InChI=1S/C17H25N/c1-18-17-13-11-16(12-14-17)10-6-9-15-7-4-2-3-5-8-15/h4,7-8,11,13,16H,2-3,5-6,9-10,12,14H2,1H3/b18-17+.
What are the key properties of 4-(3-cyclohepta-1,6-dien-1-ylpropyl)-N-methylcyclohex-2-en-1-imine?
4-(3-cyclohepta-1,6-dien-1-ylpropyl)-N-methylcyclohex-2-en-1-imine has a molecular weight of 243.39 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclohepta-1,6-dien-1-ylpropyl)-N-methylcyclohex-2-en-1-imine is sourced from PubChem (CID 123586387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).