N-cyclohexylpropan-1-imine

C9H17N — CID 3489363

IUPACN-cyclohexylpropan-1-imine
SMILESCC/C=N/C1CCCCC1
InChIInChI=1S/C9H17N/c1-2-8-10-9-6-4-3-5-7-9/h8-9H,2-7H2,1H3/b10-8+
InChIKeyGVXRFUBCUFQTFF-CSKARUKUSA-N
MW139.24 g/mol
LogP2.80
Rot. Bonds2

About N-cyclohexylpropan-1-imine

N-cyclohexylpropan-1-imine (PubChem CID 3489363) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N-cyclohexylpropan-1-imine.

Molecular Properties

Compound NameN-cyclohexylpropan-1-imine
PubChem CID3489363
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN-cyclohexylpropan-1-imine
SMILESCC/C=N/C1CCCCC1
InChIInChI=1S/C9H17N/c1-2-8-10-9-6-4-3-5-7-9/h8-9H,2-7H2,1H3/b10-8+
InChIKeyGVXRFUBCUFQTFF-CSKARUKUSA-N
XLogP2.80
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexylpropan-1-imine?
The IUPAC name of N-cyclohexylpropan-1-imine (CID 3489363) is N-cyclohexylpropan-1-imine.
What is the SMILES notation for N-cyclohexylpropan-1-imine?
The canonical SMILES for N-cyclohexylpropan-1-imine is CC/C=N/C1CCCCC1.
What is the InChIKey of N-cyclohexylpropan-1-imine?
The InChIKey is GVXRFUBCUFQTFF-CSKARUKUSA-N. The full InChI is InChI=1S/C9H17N/c1-2-8-10-9-6-4-3-5-7-9/h8-9H,2-7H2,1H3/b10-8+.
What are the key properties of N-cyclohexylpropan-1-imine?
N-cyclohexylpropan-1-imine has a molecular weight of 139.24 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexylpropan-1-imine is sourced from PubChem (CID 3489363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).