N-hexyl-1-(2-methylcyclohexen-1-yl)methanimine

C14H25N — CID 170273126

IUPACN-hexyl-1-(2-methylcyclohexen-1-yl)methanimine
SMILESCCCCCC/N=C/C1=C(C)CCCC1
InChIInChI=1S/C14H25N/c1-3-4-5-8-11-15-12-14-10-7-6-9-13(14)2/h12H,3-11H2,1-2H3/b15-12+
InChIKeyILOIFPBNMCQSRM-NTCAYCPXSA-N
MW207.36 g/mol
LogP4.53
Rot. Bonds6

About N-hexyl-1-(2-methylcyclohexen-1-yl)methanimine

N-hexyl-1-(2-methylcyclohexen-1-yl)methanimine (PubChem CID 170273126) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is N-hexyl-1-(2-methylcyclohexen-1-yl)methanimine.

Molecular Properties

Compound NameN-hexyl-1-(2-methylcyclohexen-1-yl)methanimine
PubChem CID170273126
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC NameN-hexyl-1-(2-methylcyclohexen-1-yl)methanimine
SMILESCCCCCC/N=C/C1=C(C)CCCC1
InChIInChI=1S/C14H25N/c1-3-4-5-8-11-15-12-14-10-7-6-9-13(14)2/h12H,3-11H2,1-2H3/b15-12+
InChIKeyILOIFPBNMCQSRM-NTCAYCPXSA-N
XLogP4.53
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hexyl-1-(2-methylcyclohexen-1-yl)methanimine?
The IUPAC name of N-hexyl-1-(2-methylcyclohexen-1-yl)methanimine (CID 170273126) is N-hexyl-1-(2-methylcyclohexen-1-yl)methanimine.
What is the SMILES notation for N-hexyl-1-(2-methylcyclohexen-1-yl)methanimine?
The canonical SMILES for N-hexyl-1-(2-methylcyclohexen-1-yl)methanimine is CCCCCC/N=C/C1=C(C)CCCC1.
What is the InChIKey of N-hexyl-1-(2-methylcyclohexen-1-yl)methanimine?
The InChIKey is ILOIFPBNMCQSRM-NTCAYCPXSA-N. The full InChI is InChI=1S/C14H25N/c1-3-4-5-8-11-15-12-14-10-7-6-9-13(14)2/h12H,3-11H2,1-2H3/b15-12+.
What are the key properties of N-hexyl-1-(2-methylcyclohexen-1-yl)methanimine?
N-hexyl-1-(2-methylcyclohexen-1-yl)methanimine has a molecular weight of 207.36 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-1-(2-methylcyclohexen-1-yl)methanimine is sourced from PubChem (CID 170273126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).