N-(2-methylcyclohepta-1,6-dien-1-yl)propan-2-imine

C11H17N — CID 123579435

IUPACN-(2-methylcyclohepta-1,6-dien-1-yl)propan-2-imine
SMILESCC(C)=NC1=C(C)CCCC=C1
InChIInChI=1S/C11H17N/c1-9(2)12-11-8-6-4-5-7-10(11)3/h6,8H,4-5,7H2,1-3H3
InChIKeyOMSCLYVCOHAGCO-UHFFFAOYSA-N
MW163.26 g/mol
LogP3.48
Rot. Bonds1

About N-(2-methylcyclohepta-1,6-dien-1-yl)propan-2-imine

N-(2-methylcyclohepta-1,6-dien-1-yl)propan-2-imine (PubChem CID 123579435) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is N-(2-methylcyclohepta-1,6-dien-1-yl)propan-2-imine.

Molecular Properties

Compound NameN-(2-methylcyclohepta-1,6-dien-1-yl)propan-2-imine
PubChem CID123579435
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC NameN-(2-methylcyclohepta-1,6-dien-1-yl)propan-2-imine
SMILESCC(C)=NC1=C(C)CCCC=C1
InChIInChI=1S/C11H17N/c1-9(2)12-11-8-6-4-5-7-10(11)3/h6,8H,4-5,7H2,1-3H3
InChIKeyOMSCLYVCOHAGCO-UHFFFAOYSA-N
XLogP3.48
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.48
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

N-(5-fluoro-3,6-dimethylnona-1,3,5-trien-2-yl)propan-2-imine
CID 123669970
N-[(E)-3-(2,4,6-trifluorocyclohexa-1,3-dien-1-yl)but-2-en-2-yl]propan-2-imine
CID 134342924
2-methyl-4,5-dihydro-3H-indole
CID 59759818
9,10-Dihydrodibenz[b,f]azepine
CID 69591429
2-Hexylideneindole
CID 87404983
N-[(4Z)-2,6-dimethylhepta-2,4,6-trien-3-yl]propan-2-imine
CID 88529325
(5Z,6E)-2-methyl-6-prop-2-enylidene-3-propyl-5-propylidenepyridine
CID 89256584
N-[(4E)-2-methylhexa-2,4-dien-3-yl]-6-methylidenecyclohexa-2,4-dien-1-imine
CID 89441658
2,8-Dimethyl-6,7-dihydroquinoline
CID 89495213
2-[(3E)-hepta-1,3-dien-4-yl]-5-methylidenepyrrole
CID 90261573
N-[(2Z,5Z)-3-methyl-4-methylideneocta-2,5,7-trien-2-yl]propan-2-imine
CID 90903761
(5Z)-2-but-2-en-2-yl-6-pent-2-en-2-yl-3-[(Z)-prop-1-enyl]-5-propylidene-4H-pyridine
CID 91090148

Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohepta-1,6-dien-1-yl)propan-2-imine?
The IUPAC name of N-(2-methylcyclohepta-1,6-dien-1-yl)propan-2-imine (CID 123579435) is N-(2-methylcyclohepta-1,6-dien-1-yl)propan-2-imine.
What is the SMILES notation for N-(2-methylcyclohepta-1,6-dien-1-yl)propan-2-imine?
The canonical SMILES for N-(2-methylcyclohepta-1,6-dien-1-yl)propan-2-imine is CC(C)=NC1=C(C)CCCC=C1.
What is the InChIKey of N-(2-methylcyclohepta-1,6-dien-1-yl)propan-2-imine?
The InChIKey is OMSCLYVCOHAGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-9(2)12-11-8-6-4-5-7-10(11)3/h6,8H,4-5,7H2,1-3H3.
What are the key properties of N-(2-methylcyclohepta-1,6-dien-1-yl)propan-2-imine?
N-(2-methylcyclohepta-1,6-dien-1-yl)propan-2-imine has a molecular weight of 163.26 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohepta-1,6-dien-1-yl)propan-2-imine is sourced from PubChem (CID 123579435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).