N-methyl-4-(2-methylbutan-2-yl)-3-prop-2-enylcyclohexan-1-imine

C15H27N — CID 143180485

IUPACN-methyl-4-(2-methylbutan-2-yl)-3-prop-2-enylcyclohexan-1-imine
SMILESC=CCC1C/C(=N/C)CCC1C(C)(C)CC
InChIInChI=1S/C15H27N/c1-6-8-12-11-13(16-5)9-10-14(12)15(3,4)7-2/h6,12,14H,1,7-11H2,2-5H3/b16-13+
InChIKeyNTPZAFHXBYDIOP-DTQAZKPQSA-N
MW221.39 g/mol
LogP4.49
Rot. Bonds4

About N-methyl-4-(2-methylbutan-2-yl)-3-prop-2-enylcyclohexan-1-imine

N-methyl-4-(2-methylbutan-2-yl)-3-prop-2-enylcyclohexan-1-imine (PubChem CID 143180485) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is N-methyl-4-(2-methylbutan-2-yl)-3-prop-2-enylcyclohexan-1-imine.

Molecular Properties

Compound NameN-methyl-4-(2-methylbutan-2-yl)-3-prop-2-enylcyclohexan-1-imine
PubChem CID143180485
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC NameN-methyl-4-(2-methylbutan-2-yl)-3-prop-2-enylcyclohexan-1-imine
SMILESC=CCC1C/C(=N/C)CCC1C(C)(C)CC
InChIInChI=1S/C15H27N/c1-6-8-12-11-13(16-5)9-10-14(12)15(3,4)7-2/h6,12,14H,1,7-11H2,2-5H3/b16-13+
InChIKeyNTPZAFHXBYDIOP-DTQAZKPQSA-N
XLogP4.49
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-methylbutan-2-yl)-3-prop-2-enylcyclohexan-1-imine?
The IUPAC name of N-methyl-4-(2-methylbutan-2-yl)-3-prop-2-enylcyclohexan-1-imine (CID 143180485) is N-methyl-4-(2-methylbutan-2-yl)-3-prop-2-enylcyclohexan-1-imine.
What is the SMILES notation for N-methyl-4-(2-methylbutan-2-yl)-3-prop-2-enylcyclohexan-1-imine?
The canonical SMILES for N-methyl-4-(2-methylbutan-2-yl)-3-prop-2-enylcyclohexan-1-imine is C=CCC1C/C(=N/C)CCC1C(C)(C)CC.
What is the InChIKey of N-methyl-4-(2-methylbutan-2-yl)-3-prop-2-enylcyclohexan-1-imine?
The InChIKey is NTPZAFHXBYDIOP-DTQAZKPQSA-N. The full InChI is InChI=1S/C15H27N/c1-6-8-12-11-13(16-5)9-10-14(12)15(3,4)7-2/h6,12,14H,1,7-11H2,2-5H3/b16-13+.
What are the key properties of N-methyl-4-(2-methylbutan-2-yl)-3-prop-2-enylcyclohexan-1-imine?
N-methyl-4-(2-methylbutan-2-yl)-3-prop-2-enylcyclohexan-1-imine has a molecular weight of 221.39 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2-methylbutan-2-yl)-3-prop-2-enylcyclohexan-1-imine is sourced from PubChem (CID 143180485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).