N-butan-2-yl-4-methylcyclohex-2-en-1-imine

C11H19N — CID 123993534

IUPACN-butan-2-yl-4-methylcyclohex-2-en-1-imine
SMILESCCC(C)/N=C1/C=CC(C)CC1
InChIInChI=1S/C11H19N/c1-4-10(3)12-11-7-5-9(2)6-8-11/h5,7,9-10H,4,6,8H2,1-3H3/b12-11-
InChIKeyYIJREGKPXXJOCJ-QXMHVHEDSA-N
MW165.28 g/mol
LogP3.21
Rot. Bonds2

About N-butan-2-yl-4-methylcyclohex-2-en-1-imine

N-butan-2-yl-4-methylcyclohex-2-en-1-imine (PubChem CID 123993534) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N-butan-2-yl-4-methylcyclohex-2-en-1-imine.

Molecular Properties

Compound NameN-butan-2-yl-4-methylcyclohex-2-en-1-imine
PubChem CID123993534
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN-butan-2-yl-4-methylcyclohex-2-en-1-imine
SMILESCCC(C)/N=C1/C=CC(C)CC1
InChIInChI=1S/C11H19N/c1-4-10(3)12-11-7-5-9(2)6-8-11/h5,7,9-10H,4,6,8H2,1-3H3/b12-11-
InChIKeyYIJREGKPXXJOCJ-QXMHVHEDSA-N
XLogP3.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.21
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-butan-2-yl-4-methylcyclohex-2-en-1-imine?
The IUPAC name of N-butan-2-yl-4-methylcyclohex-2-en-1-imine (CID 123993534) is N-butan-2-yl-4-methylcyclohex-2-en-1-imine.
What is the SMILES notation for N-butan-2-yl-4-methylcyclohex-2-en-1-imine?
The canonical SMILES for N-butan-2-yl-4-methylcyclohex-2-en-1-imine is CCC(C)/N=C1/C=CC(C)CC1.
What is the InChIKey of N-butan-2-yl-4-methylcyclohex-2-en-1-imine?
The InChIKey is YIJREGKPXXJOCJ-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H19N/c1-4-10(3)12-11-7-5-9(2)6-8-11/h5,7,9-10H,4,6,8H2,1-3H3/b12-11-.
What are the key properties of N-butan-2-yl-4-methylcyclohex-2-en-1-imine?
N-butan-2-yl-4-methylcyclohex-2-en-1-imine has a molecular weight of 165.28 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-methylcyclohex-2-en-1-imine is sourced from PubChem (CID 123993534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).