N-(propan-2-ylideneamino)cyclohexanamine

C9H18N2 — CID 21387191

IUPACN-(propan-2-ylideneamino)cyclohexanamine
SMILESCC(C)=NNC1CCCCC1
InChIInChI=1S/C9H18N2/c1-8(2)10-11-9-6-4-3-5-7-9/h9,11H,3-7H2,1-2H3
InChIKeyVVESBTIJTQEASC-UHFFFAOYSA-N
MW154.26 g/mol
LogP2.30
Rot. Bonds2

About N-(propan-2-ylideneamino)cyclohexanamine

N-(propan-2-ylideneamino)cyclohexanamine (PubChem CID 21387191) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N-(propan-2-ylideneamino)cyclohexanamine.

Molecular Properties

Compound NameN-(propan-2-ylideneamino)cyclohexanamine
PubChem CID21387191
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN-(propan-2-ylideneamino)cyclohexanamine
SMILESCC(C)=NNC1CCCCC1
InChIInChI=1S/C9H18N2/c1-8(2)10-11-9-6-4-3-5-7-9/h9,11H,3-7H2,1-2H3
InChIKeyVVESBTIJTQEASC-UHFFFAOYSA-N
XLogP2.30
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(propan-2-ylideneamino)cyclohexanamine?
The IUPAC name of N-(propan-2-ylideneamino)cyclohexanamine (CID 21387191) is N-(propan-2-ylideneamino)cyclohexanamine.
What is the SMILES notation for N-(propan-2-ylideneamino)cyclohexanamine?
The canonical SMILES for N-(propan-2-ylideneamino)cyclohexanamine is CC(C)=NNC1CCCCC1.
What is the InChIKey of N-(propan-2-ylideneamino)cyclohexanamine?
The InChIKey is VVESBTIJTQEASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-8(2)10-11-9-6-4-3-5-7-9/h9,11H,3-7H2,1-2H3.
What are the key properties of N-(propan-2-ylideneamino)cyclohexanamine?
N-(propan-2-ylideneamino)cyclohexanamine has a molecular weight of 154.26 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(propan-2-ylideneamino)cyclohexanamine is sourced from PubChem (CID 21387191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).