N-[2-(2-methylpentan-3-yl)cyclohexen-1-yl]methanimine

C13H23N — CID 138719356

IUPACN-[2-(2-methylpentan-3-yl)cyclohexen-1-yl]methanimine
SMILESC=NC1=C(C(CC)C(C)C)CCCC1
InChIInChI=1S/C13H23N/c1-5-11(10(2)3)12-8-6-7-9-13(12)14-4/h10-11H,4-9H2,1-3H3
InChIKeyHAAVBIBBMQOQHA-UHFFFAOYSA-N
MW193.33 g/mol
LogP4.20
Rot. Bonds4

About N-[2-(2-methylpentan-3-yl)cyclohexen-1-yl]methanimine

N-[2-(2-methylpentan-3-yl)cyclohexen-1-yl]methanimine (PubChem CID 138719356) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is N-[2-(2-methylpentan-3-yl)cyclohexen-1-yl]methanimine.

Molecular Properties

Compound NameN-[2-(2-methylpentan-3-yl)cyclohexen-1-yl]methanimine
PubChem CID138719356
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC NameN-[2-(2-methylpentan-3-yl)cyclohexen-1-yl]methanimine
SMILESC=NC1=C(C(CC)C(C)C)CCCC1
InChIInChI=1S/C13H23N/c1-5-11(10(2)3)12-8-6-7-9-13(12)14-4/h10-11H,4-9H2,1-3H3
InChIKeyHAAVBIBBMQOQHA-UHFFFAOYSA-N
XLogP4.20
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpentan-3-yl)cyclohexen-1-yl]methanimine?
The IUPAC name of N-[2-(2-methylpentan-3-yl)cyclohexen-1-yl]methanimine (CID 138719356) is N-[2-(2-methylpentan-3-yl)cyclohexen-1-yl]methanimine.
What is the SMILES notation for N-[2-(2-methylpentan-3-yl)cyclohexen-1-yl]methanimine?
The canonical SMILES for N-[2-(2-methylpentan-3-yl)cyclohexen-1-yl]methanimine is C=NC1=C(C(CC)C(C)C)CCCC1.
What is the InChIKey of N-[2-(2-methylpentan-3-yl)cyclohexen-1-yl]methanimine?
The InChIKey is HAAVBIBBMQOQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-5-11(10(2)3)12-8-6-7-9-13(12)14-4/h10-11H,4-9H2,1-3H3.
What are the key properties of N-[2-(2-methylpentan-3-yl)cyclohexen-1-yl]methanimine?
N-[2-(2-methylpentan-3-yl)cyclohexen-1-yl]methanimine has a molecular weight of 193.33 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpentan-3-yl)cyclohexen-1-yl]methanimine is sourced from PubChem (CID 138719356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).