5-ethyl-2-(3-methylheptan-2-yl)cyclohepta-2,6-dien-1-imine

C17H29N — CID 91205691

IUPAC5-ethyl-2-(3-methylheptan-2-yl)cyclohepta-2,6-dien-1-imine
SMILES[H]/N=C1\C=CC(CC)CC=C1C(C)C(C)CCCC
InChIInChI=1S/C17H29N/c1-5-7-8-13(3)14(4)16-11-9-15(6-2)10-12-17(16)18/h10-15,18H,5-9H2,1-4H3/b18-17+
InChIKeyWQDZOKRTMZSUCI-ISLYRVAYSA-N
MW247.43 g/mol
LogP5.38
Rot. Bonds6

About 5-ethyl-2-(3-methylheptan-2-yl)cyclohepta-2,6-dien-1-imine

5-ethyl-2-(3-methylheptan-2-yl)cyclohepta-2,6-dien-1-imine (PubChem CID 91205691) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 5-ethyl-2-(3-methylheptan-2-yl)cyclohepta-2,6-dien-1-imine.

Molecular Properties

Compound Name5-ethyl-2-(3-methylheptan-2-yl)cyclohepta-2,6-dien-1-imine
PubChem CID91205691
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name5-ethyl-2-(3-methylheptan-2-yl)cyclohepta-2,6-dien-1-imine
SMILES[H]/N=C1\C=CC(CC)CC=C1C(C)C(C)CCCC
InChIInChI=1S/C17H29N/c1-5-7-8-13(3)14(4)16-11-9-15(6-2)10-12-17(16)18/h10-15,18H,5-9H2,1-4H3/b18-17+
InChIKeyWQDZOKRTMZSUCI-ISLYRVAYSA-N
XLogP5.38
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500247.43
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-Ethylidene-6-fluoro-6-methyl-5-prop-1-en-2-yloctan-2-imine
CID 91340707
(6Z)-10-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)undeca-1,6-dien-5-imine
CID 153399956
(E)-6-fluoro-3-(2-methylpropyl)-5-propylnon-6-en-2-imine
CID 163433107
1-Cyclohexyl-imino-2-butene
CID 129765474
(6Z,8Z)-10-ethyl-2-fluoro-4,6-dimethyl-10,10a-dihydro-1H-benzo[8]annulen-5-imine
CID 142313968
2,6-Di(propan-2-yl)cyclohexa-2,4-dien-1-imine
CID 17962987
Tricyclo[10.4.0.04,9]hexadeca-1(16),6,8,10,14-pentaen-2-imine
CID 56995744
2-Ethyl-4-methylcyclohex-2-en-1-imine
CID 57087859
2-Cyclohex-2-en-1-yl-2,4-dimethylhexan-3-imine
CID 58555275
(3S)-3-(4-octylcyclohexa-2,4-dien-1-yl)cyclopentan-1-imine
CID 68219189
2-Heptan-2-ylcyclohexa-2,5-diene-1,4-diimine
CID 69973378
(4R)-2-[(1S)-cyclohex-2-en-1-yl]-2,4-dimethylhexan-3-imine
CID 87279105

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(3-methylheptan-2-yl)cyclohepta-2,6-dien-1-imine?
The IUPAC name of 5-ethyl-2-(3-methylheptan-2-yl)cyclohepta-2,6-dien-1-imine (CID 91205691) is 5-ethyl-2-(3-methylheptan-2-yl)cyclohepta-2,6-dien-1-imine.
What is the SMILES notation for 5-ethyl-2-(3-methylheptan-2-yl)cyclohepta-2,6-dien-1-imine?
The canonical SMILES for 5-ethyl-2-(3-methylheptan-2-yl)cyclohepta-2,6-dien-1-imine is [H]/N=C1\C=CC(CC)CC=C1C(C)C(C)CCCC.
What is the InChIKey of 5-ethyl-2-(3-methylheptan-2-yl)cyclohepta-2,6-dien-1-imine?
The InChIKey is WQDZOKRTMZSUCI-ISLYRVAYSA-N. The full InChI is InChI=1S/C17H29N/c1-5-7-8-13(3)14(4)16-11-9-15(6-2)10-12-17(16)18/h10-15,18H,5-9H2,1-4H3/b18-17+.
What are the key properties of 5-ethyl-2-(3-methylheptan-2-yl)cyclohepta-2,6-dien-1-imine?
5-ethyl-2-(3-methylheptan-2-yl)cyclohepta-2,6-dien-1-imine has a molecular weight of 247.43 g/mol, XLogP of 5.38, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(3-methylheptan-2-yl)cyclohepta-2,6-dien-1-imine is sourced from PubChem (CID 91205691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).