N-propan-2-yl-1-(1-prop-2-enylcyclohexyl)methanimine

C13H23N — CID 134877151

IUPACN-propan-2-yl-1-(1-prop-2-enylcyclohexyl)methanimine
SMILESC=CCC1(/C=N/C(C)C)CCCCC1
InChIInChI=1S/C13H23N/c1-4-8-13(11-14-12(2)3)9-6-5-7-10-13/h4,11-12H,1,5-10H2,2-3H3/b14-11+
InChIKeyYMKLSRXVOXWBOR-SDNWHVSQSA-N
MW193.33 g/mol
LogP3.99
Rot. Bonds4

About N-propan-2-yl-1-(1-prop-2-enylcyclohexyl)methanimine

N-propan-2-yl-1-(1-prop-2-enylcyclohexyl)methanimine (PubChem CID 134877151) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is N-propan-2-yl-1-(1-prop-2-enylcyclohexyl)methanimine.

Molecular Properties

Compound NameN-propan-2-yl-1-(1-prop-2-enylcyclohexyl)methanimine
PubChem CID134877151
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC NameN-propan-2-yl-1-(1-prop-2-enylcyclohexyl)methanimine
SMILESC=CCC1(/C=N/C(C)C)CCCCC1
InChIInChI=1S/C13H23N/c1-4-8-13(11-14-12(2)3)9-6-5-7-10-13/h4,11-12H,1,5-10H2,2-3H3/b14-11+
InChIKeyYMKLSRXVOXWBOR-SDNWHVSQSA-N
XLogP3.99
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 ≤ 53.99
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-propan-2-yl-1-(1-prop-2-enylcyclohexyl)methanimine?
The IUPAC name of N-propan-2-yl-1-(1-prop-2-enylcyclohexyl)methanimine (CID 134877151) is N-propan-2-yl-1-(1-prop-2-enylcyclohexyl)methanimine.
What is the SMILES notation for N-propan-2-yl-1-(1-prop-2-enylcyclohexyl)methanimine?
The canonical SMILES for N-propan-2-yl-1-(1-prop-2-enylcyclohexyl)methanimine is C=CCC1(/C=N/C(C)C)CCCCC1.
What is the InChIKey of N-propan-2-yl-1-(1-prop-2-enylcyclohexyl)methanimine?
The InChIKey is YMKLSRXVOXWBOR-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H23N/c1-4-8-13(11-14-12(2)3)9-6-5-7-10-13/h4,11-12H,1,5-10H2,2-3H3/b14-11+.
What are the key properties of N-propan-2-yl-1-(1-prop-2-enylcyclohexyl)methanimine?
N-propan-2-yl-1-(1-prop-2-enylcyclohexyl)methanimine has a molecular weight of 193.33 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1-(1-prop-2-enylcyclohexyl)methanimine is sourced from PubChem (CID 134877151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).