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

C14H25N — CID 134875727

IUPACN-butyl-1-(1-prop-2-enylcyclohexyl)methanimine
SMILESC=CCC1(/C=N/CCCC)CCCCC1
InChIInChI=1S/C14H25N/c1-3-5-12-15-13-14(9-4-2)10-7-6-8-11-14/h4,13H,2-3,5-12H2,1H3/b15-13+
InChIKeyGOHBQBQLHVIRPQ-FYWRMAATSA-N
MW207.36 g/mol
LogP4.38
Rot. Bonds6

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

N-butyl-1-(1-prop-2-enylcyclohexyl)methanimine (PubChem CID 134875727) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is N-butyl-1-(1-prop-2-enylcyclohexyl)methanimine.

Molecular Properties

Compound NameN-butyl-1-(1-prop-2-enylcyclohexyl)methanimine
PubChem CID134875727
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC NameN-butyl-1-(1-prop-2-enylcyclohexyl)methanimine
SMILESC=CCC1(/C=N/CCCC)CCCCC1
InChIInChI=1S/C14H25N/c1-3-5-12-15-13-14(9-4-2)10-7-6-8-11-14/h4,13H,2-3,5-12H2,1H3/b15-13+
InChIKeyGOHBQBQLHVIRPQ-FYWRMAATSA-N
XLogP4.38
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-1-(1-prop-2-enylcyclohexyl)methanimine
CID 11745832
N-propan-2-yl-1-(1-prop-2-enylcyclohexyl)methanimine
CID 134877151
3-ethenyl-3,5-diethyl-4H-pyridine
CID 70631579
N-tert-butyl-1-[1-(2-methylprop-2-enyl)cyclohexyl]methanimine
CID 89230806
7-ethyl-7-hex-2-enyl-3,4,5,6-tetrahydro-2H-azocine
CID 123154718
N-(2-hexyl-2-methyloct-7-enyl)methanimine
CID 163484549
N-[2-(cyclohexylmethyl)-2-methylpent-4-enyl]methanimine
CID 166922419
N-methyl-2-(4-methyl-4-prop-1-en-2-ylcyclohexyl)ethanimine
CID 166982826
2-(1-ethyl-3-methyl-5-methylidenecyclohexyl)-N-methylethanimine
CID 169813472
N-methyl-N-[(1-prop-2-enylcyclohexyl)methylideneamino]methanamine
CID 351296
N-methyl-N-[(E)-(1-prop-2-enylcyclohexyl)methylideneamino]methanamine
CID 9569658

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(1-prop-2-enylcyclohexyl)methanimine?
The IUPAC name of N-butyl-1-(1-prop-2-enylcyclohexyl)methanimine (CID 134875727) is N-butyl-1-(1-prop-2-enylcyclohexyl)methanimine.
What is the SMILES notation for N-butyl-1-(1-prop-2-enylcyclohexyl)methanimine?
The canonical SMILES for N-butyl-1-(1-prop-2-enylcyclohexyl)methanimine is C=CCC1(/C=N/CCCC)CCCCC1.
What is the InChIKey of N-butyl-1-(1-prop-2-enylcyclohexyl)methanimine?
The InChIKey is GOHBQBQLHVIRPQ-FYWRMAATSA-N. The full InChI is InChI=1S/C14H25N/c1-3-5-12-15-13-14(9-4-2)10-7-6-8-11-14/h4,13H,2-3,5-12H2,1H3/b15-13+.
What are the key properties of N-butyl-1-(1-prop-2-enylcyclohexyl)methanimine?
N-butyl-1-(1-prop-2-enylcyclohexyl)methanimine has a molecular weight of 207.36 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(1-prop-2-enylcyclohexyl)methanimine is sourced from PubChem (CID 134875727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).