N-cyclohexyl-4a-methyl-3,4,5,6,7,8-hexahydronaphthalen-2-imine

C17H27N — CID 135050320

IUPACN-cyclohexyl-4a-methyl-3,4,5,6,7,8-hexahydronaphthalen-2-imine
SMILESCC12CCCCC1=C/C(=N/C1CCCCC1)CC2
InChIInChI=1S/C17H27N/c1-17-11-6-5-7-14(17)13-16(10-12-17)18-15-8-3-2-4-9-15/h13,15H,2-12H2,1H3/b18-16+
InChIKeyFPVPACUKTLBOAN-FBMGVBCBSA-N
MW245.41 g/mol
LogP5.06
Rot. Bonds1

About N-cyclohexyl-4a-methyl-3,4,5,6,7,8-hexahydronaphthalen-2-imine

N-cyclohexyl-4a-methyl-3,4,5,6,7,8-hexahydronaphthalen-2-imine (PubChem CID 135050320) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N-cyclohexyl-4a-methyl-3,4,5,6,7,8-hexahydronaphthalen-2-imine.

Molecular Properties

Compound NameN-cyclohexyl-4a-methyl-3,4,5,6,7,8-hexahydronaphthalen-2-imine
PubChem CID135050320
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN-cyclohexyl-4a-methyl-3,4,5,6,7,8-hexahydronaphthalen-2-imine
SMILESCC12CCCCC1=C/C(=N/C1CCCCC1)CC2
InChIInChI=1S/C17H27N/c1-17-11-6-5-7-14(17)13-16(10-12-17)18-15-8-3-2-4-9-15/h13,15H,2-12H2,1H3/b18-16+
InChIKeyFPVPACUKTLBOAN-FBMGVBCBSA-N
XLogP5.06
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500245.41
LogP ≤ 55.06
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

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CID 141295656
(4aR)-2-(1-methylcyclohexyl)-1-oxido-4a,5,6,7,8,8a-hexahydroquinolin-1-ium
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N,4a,5-trimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-imine
CID 58587127
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(5S,9bS)-2,4,5,7,7,9b-hexamethyl-5,6,6a,8,9,9a-hexahydro-4H-benzo[de]quinoline
CID 90766013
1,4,4a,5,6,7,9,9a-Octahydroacridine
CID 91181236
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2-(2,4-Dimethyloctyl)-3,6-dimethyl-2,3,4,4a,5,6-hexahydroquinoline
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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4a-methyl-3,4,5,6,7,8-hexahydronaphthalen-2-imine?
The IUPAC name of N-cyclohexyl-4a-methyl-3,4,5,6,7,8-hexahydronaphthalen-2-imine (CID 135050320) is N-cyclohexyl-4a-methyl-3,4,5,6,7,8-hexahydronaphthalen-2-imine.
What is the SMILES notation for N-cyclohexyl-4a-methyl-3,4,5,6,7,8-hexahydronaphthalen-2-imine?
The canonical SMILES for N-cyclohexyl-4a-methyl-3,4,5,6,7,8-hexahydronaphthalen-2-imine is CC12CCCCC1=C/C(=N/C1CCCCC1)CC2.
What is the InChIKey of N-cyclohexyl-4a-methyl-3,4,5,6,7,8-hexahydronaphthalen-2-imine?
The InChIKey is FPVPACUKTLBOAN-FBMGVBCBSA-N. The full InChI is InChI=1S/C17H27N/c1-17-11-6-5-7-14(17)13-16(10-12-17)18-15-8-3-2-4-9-15/h13,15H,2-12H2,1H3/b18-16+.
What are the key properties of N-cyclohexyl-4a-methyl-3,4,5,6,7,8-hexahydronaphthalen-2-imine?
N-cyclohexyl-4a-methyl-3,4,5,6,7,8-hexahydronaphthalen-2-imine has a molecular weight of 245.41 g/mol, XLogP of 5.06, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4a-methyl-3,4,5,6,7,8-hexahydronaphthalen-2-imine is sourced from PubChem (CID 135050320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).