N-tert-butyl-1-(1-prop-2-enylcyclohexyl)methanimine

C14H25N — CID 11745832

IUPACN-tert-butyl-1-(1-prop-2-enylcyclohexyl)methanimine
SMILESC=CCC1(/C=N/C(C)(C)C)CCCCC1
InChIInChI=1S/C14H25N/c1-5-9-14(10-7-6-8-11-14)12-15-13(2,3)4/h5,12H,1,6-11H2,2-4H3/b15-12+
InChIKeyYXUSRWCZMDIJFG-NTCAYCPXSA-N
MW207.36 g/mol
LogP4.38
Rot. Bonds3

About N-tert-butyl-1-(1-prop-2-enylcyclohexyl)methanimine

N-tert-butyl-1-(1-prop-2-enylcyclohexyl)methanimine (PubChem CID 11745832) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is N-tert-butyl-1-(1-prop-2-enylcyclohexyl)methanimine.

Molecular Properties

Compound NameN-tert-butyl-1-(1-prop-2-enylcyclohexyl)methanimine
PubChem CID11745832
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC NameN-tert-butyl-1-(1-prop-2-enylcyclohexyl)methanimine
SMILESC=CCC1(/C=N/C(C)(C)C)CCCCC1
InChIInChI=1S/C14H25N/c1-5-9-14(10-7-6-8-11-14)12-15-13(2,3)4/h5,12H,1,6-11H2,2-4H3/b15-12+
InChIKeyYXUSRWCZMDIJFG-NTCAYCPXSA-N
XLogP4.38
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 54.38
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-tert-butyl-1-(1-prop-2-enylcyclohexyl)methanimine?
The IUPAC name of N-tert-butyl-1-(1-prop-2-enylcyclohexyl)methanimine (CID 11745832) is N-tert-butyl-1-(1-prop-2-enylcyclohexyl)methanimine.
What is the SMILES notation for N-tert-butyl-1-(1-prop-2-enylcyclohexyl)methanimine?
The canonical SMILES for N-tert-butyl-1-(1-prop-2-enylcyclohexyl)methanimine is C=CCC1(/C=N/C(C)(C)C)CCCCC1.
What is the InChIKey of N-tert-butyl-1-(1-prop-2-enylcyclohexyl)methanimine?
The InChIKey is YXUSRWCZMDIJFG-NTCAYCPXSA-N. The full InChI is InChI=1S/C14H25N/c1-5-9-14(10-7-6-8-11-14)12-15-13(2,3)4/h5,12H,1,6-11H2,2-4H3/b15-12+.
What are the key properties of N-tert-butyl-1-(1-prop-2-enylcyclohexyl)methanimine?
N-tert-butyl-1-(1-prop-2-enylcyclohexyl)methanimine has a molecular weight of 207.36 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-(1-prop-2-enylcyclohexyl)methanimine is sourced from PubChem (CID 11745832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).