N-pentyl-2-prop-2-enylcyclohexan-1-imine

C14H25N — CID 121391547

IUPACN-pentyl-2-prop-2-enylcyclohexan-1-imine
SMILESC=CCC1CCCC/C1=N\CCCCC
InChIInChI=1S/C14H25N/c1-3-5-8-12-15-14-11-7-6-10-13(14)9-4-2/h4,13H,2-3,5-12H2,1H3/b15-14+
InChIKeyKDPJMNJNOYOWTP-CCEZHUSRSA-N
MW207.36 g/mol
LogP4.38
Rot. Bonds6

About N-pentyl-2-prop-2-enylcyclohexan-1-imine

N-pentyl-2-prop-2-enylcyclohexan-1-imine (PubChem CID 121391547) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is N-pentyl-2-prop-2-enylcyclohexan-1-imine.

Molecular Properties

Compound NameN-pentyl-2-prop-2-enylcyclohexan-1-imine
PubChem CID121391547
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC NameN-pentyl-2-prop-2-enylcyclohexan-1-imine
SMILESC=CCC1CCCC/C1=N\CCCCC
InChIInChI=1S/C14H25N/c1-3-5-8-12-15-14-11-7-6-10-13(14)9-4-2/h4,13H,2-3,5-12H2,1H3/b15-14+
InChIKeyKDPJMNJNOYOWTP-CCEZHUSRSA-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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Frequently Asked Questions

What is the IUPAC name of N-pentyl-2-prop-2-enylcyclohexan-1-imine?
The IUPAC name of N-pentyl-2-prop-2-enylcyclohexan-1-imine (CID 121391547) is N-pentyl-2-prop-2-enylcyclohexan-1-imine.
What is the SMILES notation for N-pentyl-2-prop-2-enylcyclohexan-1-imine?
The canonical SMILES for N-pentyl-2-prop-2-enylcyclohexan-1-imine is C=CCC1CCCC/C1=N\CCCCC.
What is the InChIKey of N-pentyl-2-prop-2-enylcyclohexan-1-imine?
The InChIKey is KDPJMNJNOYOWTP-CCEZHUSRSA-N. The full InChI is InChI=1S/C14H25N/c1-3-5-8-12-15-14-11-7-6-10-13(14)9-4-2/h4,13H,2-3,5-12H2,1H3/b15-14+.
What are the key properties of N-pentyl-2-prop-2-enylcyclohexan-1-imine?
N-pentyl-2-prop-2-enylcyclohexan-1-imine 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-pentyl-2-prop-2-enylcyclohexan-1-imine is sourced from PubChem (CID 121391547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).