N-cyclohexylbicyclo[4.1.0]hept-3-en-2-imine;N-methylpropan-2-amine

C17H30N2 — CID 143478087

IUPACN-cyclohexylbicyclo[4.1.0]hept-3-en-2-imine;N-methylpropan-2-amine
SMILESC1=C/C(=N\C2CCCCC2)C2CC2C1.CNC(C)C
InChIInChI=1S/C13H19N.C4H11N/c1-2-6-11(7-3-1)14-13-8-4-5-10-9-12(10)13;1-4(2)5-3/h4,8,10-12H,1-3,5-7,9H2;4-5H,1-3H3/b14-13+;
InChIKeyCCWHXAHPOBJKRW-IERUDJENSA-N
MW262.44 g/mol
LogP3.97
Rot. Bonds2

About N-cyclohexylbicyclo[4.1.0]hept-3-en-2-imine;N-methylpropan-2-amine

N-cyclohexylbicyclo[4.1.0]hept-3-en-2-imine;N-methylpropan-2-amine (PubChem CID 143478087) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N-cyclohexylbicyclo[4.1.0]hept-3-en-2-imine;N-methylpropan-2-amine.

Molecular Properties

Compound NameN-cyclohexylbicyclo[4.1.0]hept-3-en-2-imine;N-methylpropan-2-amine
PubChem CID143478087
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN-cyclohexylbicyclo[4.1.0]hept-3-en-2-imine;N-methylpropan-2-amine
SMILESC1=C/C(=N\C2CCCCC2)C2CC2C1.CNC(C)C
InChIInChI=1S/C13H19N.C4H11N/c1-2-6-11(7-3-1)14-13-8-4-5-10-9-12(10)13;1-4(2)5-3/h4,8,10-12H,1-3,5-7,9H2;4-5H,1-3H3/b14-13+;
InChIKeyCCWHXAHPOBJKRW-IERUDJENSA-N
XLogP3.97
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Cyclopropyl-(3-methyl-2,3-dihydropyridin-6-yl)methanamine
CID 91269933
1-(6-ethyl-4,4-dimethyl-2,3,6,7-tetrahydrocyclohepta[b]pyridin-7-yl)-N-methylethanamine
CID 91470543
Methyl-[4-(4-methylcyclohexyl)azaniumylidenecyclohexa-2,5-dien-1-ylidene]azanium
CID 140414041
4-(3-Methyl-2,3-dihydropyridin-6-yl)cyclohexan-1-amine
CID 144780867
4-[C-[(Z)-but-1-enyl]-N-methylcarbonimidoyl]cyclohexan-1-amine
CID 153404821
Cyclopropyl-(6-propan-2-yl-2,3-dihydropyridin-3-yl)methanamine
CID 155232086
N-cyclohexylbicyclo[4.1.0]hept-3-en-2-imine
CID 143478088

Frequently Asked Questions

What is the IUPAC name of N-cyclohexylbicyclo[4.1.0]hept-3-en-2-imine;N-methylpropan-2-amine?
The IUPAC name of N-cyclohexylbicyclo[4.1.0]hept-3-en-2-imine;N-methylpropan-2-amine (CID 143478087) is N-cyclohexylbicyclo[4.1.0]hept-3-en-2-imine;N-methylpropan-2-amine.
What is the SMILES notation for N-cyclohexylbicyclo[4.1.0]hept-3-en-2-imine;N-methylpropan-2-amine?
The canonical SMILES for N-cyclohexylbicyclo[4.1.0]hept-3-en-2-imine;N-methylpropan-2-amine is C1=C/C(=N\C2CCCCC2)C2CC2C1.CNC(C)C.
What is the InChIKey of N-cyclohexylbicyclo[4.1.0]hept-3-en-2-imine;N-methylpropan-2-amine?
The InChIKey is CCWHXAHPOBJKRW-IERUDJENSA-N. The full InChI is InChI=1S/C13H19N.C4H11N/c1-2-6-11(7-3-1)14-13-8-4-5-10-9-12(10)13;1-4(2)5-3/h4,8,10-12H,1-3,5-7,9H2;4-5H,1-3H3/b14-13+;.
What are the key properties of N-cyclohexylbicyclo[4.1.0]hept-3-en-2-imine;N-methylpropan-2-amine?
N-cyclohexylbicyclo[4.1.0]hept-3-en-2-imine;N-methylpropan-2-amine has a molecular weight of 262.44 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexylbicyclo[4.1.0]hept-3-en-2-imine;N-methylpropan-2-amine is sourced from PubChem (CID 143478087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).