N-[(E)-butan-2-ylideneamino]cyclohexanamine

C10H20N2 — CID 19887770

IUPACN-[(E)-butan-2-ylideneamino]cyclohexanamine
SMILESCC/C(C)=N/NC1CCCCC1
InChIInChI=1S/C10H20N2/c1-3-9(2)11-12-10-7-5-4-6-8-10/h10,12H,3-8H2,1-2H3/b11-9+
InChIKeyGQODKNWGGRVREX-PKNBQFBNSA-N
MW168.28 g/mol
LogP2.69
Rot. Bonds3

About N-[(E)-butan-2-ylideneamino]cyclohexanamine

N-[(E)-butan-2-ylideneamino]cyclohexanamine (PubChem CID 19887770) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N-[(E)-butan-2-ylideneamino]cyclohexanamine.

Molecular Properties

Compound NameN-[(E)-butan-2-ylideneamino]cyclohexanamine
PubChem CID19887770
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN-[(E)-butan-2-ylideneamino]cyclohexanamine
SMILESCC/C(C)=N/NC1CCCCC1
InChIInChI=1S/C10H20N2/c1-3-9(2)11-12-10-7-5-4-6-8-10/h10,12H,3-8H2,1-2H3/b11-9+
InChIKeyGQODKNWGGRVREX-PKNBQFBNSA-N
XLogP2.69
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.69
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-[(E)-butan-2-ylideneamino]cyclohexanamine?
The IUPAC name of N-[(E)-butan-2-ylideneamino]cyclohexanamine (CID 19887770) is N-[(E)-butan-2-ylideneamino]cyclohexanamine.
What is the SMILES notation for N-[(E)-butan-2-ylideneamino]cyclohexanamine?
The canonical SMILES for N-[(E)-butan-2-ylideneamino]cyclohexanamine is CC/C(C)=N/NC1CCCCC1.
What is the InChIKey of N-[(E)-butan-2-ylideneamino]cyclohexanamine?
The InChIKey is GQODKNWGGRVREX-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H20N2/c1-3-9(2)11-12-10-7-5-4-6-8-10/h10,12H,3-8H2,1-2H3/b11-9+.
What are the key properties of N-[(E)-butan-2-ylideneamino]cyclohexanamine?
N-[(E)-butan-2-ylideneamino]cyclohexanamine has a molecular weight of 168.28 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-butan-2-ylideneamino]cyclohexanamine is sourced from PubChem (CID 19887770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).