N-[2-(cyclohexylmethyl)-2-methylpent-4-enyl]methanimine

C14H25N — CID 166922419

IUPACN-[2-(cyclohexylmethyl)-2-methylpent-4-enyl]methanimine
SMILESC=CCC(C)(CN=C)CC1CCCCC1
InChIInChI=1S/C14H25N/c1-4-10-14(2,12-15-3)11-13-8-6-5-7-9-13/h4,13H,1,3,5-12H2,2H3
InChIKeyRKSAVULKVJGUGG-UHFFFAOYSA-N
MW207.36 g/mol
LogP4.24
Rot. Bonds6

About N-[2-(cyclohexylmethyl)-2-methylpent-4-enyl]methanimine

N-[2-(cyclohexylmethyl)-2-methylpent-4-enyl]methanimine (PubChem CID 166922419) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is N-[2-(cyclohexylmethyl)-2-methylpent-4-enyl]methanimine.

Molecular Properties

Compound NameN-[2-(cyclohexylmethyl)-2-methylpent-4-enyl]methanimine
PubChem CID166922419
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC NameN-[2-(cyclohexylmethyl)-2-methylpent-4-enyl]methanimine
SMILESC=CCC(C)(CN=C)CC1CCCCC1
InChIInChI=1S/C14H25N/c1-4-10-14(2,12-15-3)11-13-8-6-5-7-9-13/h4,13H,1,3,5-12H2,2H3
InChIKeyRKSAVULKVJGUGG-UHFFFAOYSA-N
XLogP4.24
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 ≤ 54.24
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-[2-(cyclohexylmethyl)-2-methylpent-4-enyl]methanimine?
The IUPAC name of N-[2-(cyclohexylmethyl)-2-methylpent-4-enyl]methanimine (CID 166922419) is N-[2-(cyclohexylmethyl)-2-methylpent-4-enyl]methanimine.
What is the SMILES notation for N-[2-(cyclohexylmethyl)-2-methylpent-4-enyl]methanimine?
The canonical SMILES for N-[2-(cyclohexylmethyl)-2-methylpent-4-enyl]methanimine is C=CCC(C)(CN=C)CC1CCCCC1.
What is the InChIKey of N-[2-(cyclohexylmethyl)-2-methylpent-4-enyl]methanimine?
The InChIKey is RKSAVULKVJGUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-4-10-14(2,12-15-3)11-13-8-6-5-7-9-13/h4,13H,1,3,5-12H2,2H3.
What are the key properties of N-[2-(cyclohexylmethyl)-2-methylpent-4-enyl]methanimine?
N-[2-(cyclohexylmethyl)-2-methylpent-4-enyl]methanimine has a molecular weight of 207.36 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylmethyl)-2-methylpent-4-enyl]methanimine is sourced from PubChem (CID 166922419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).