N-(cyclohexylideneamino)butan-2-amine

C10H20N2 — CID 21387223

IUPACN-(cyclohexylideneamino)butan-2-amine
SMILESCCC(C)NN=C1CCCCC1
InChIInChI=1S/C10H20N2/c1-3-9(2)11-12-10-7-5-4-6-8-10/h9,11H,3-8H2,1-2H3
InChIKeyZBMWBDIVAJGXMF-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.69
Rot. Bonds3

About N-(cyclohexylideneamino)butan-2-amine

N-(cyclohexylideneamino)butan-2-amine (PubChem CID 21387223) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N-(cyclohexylideneamino)butan-2-amine.

Molecular Properties

Compound NameN-(cyclohexylideneamino)butan-2-amine
PubChem CID21387223
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN-(cyclohexylideneamino)butan-2-amine
SMILESCCC(C)NN=C1CCCCC1
InChIInChI=1S/C10H20N2/c1-3-9(2)11-12-10-7-5-4-6-8-10/h9,11H,3-8H2,1-2H3
InChIKeyZBMWBDIVAJGXMF-UHFFFAOYSA-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-(cyclohexylideneamino)butan-2-amine?
The IUPAC name of N-(cyclohexylideneamino)butan-2-amine (CID 21387223) is N-(cyclohexylideneamino)butan-2-amine.
What is the SMILES notation for N-(cyclohexylideneamino)butan-2-amine?
The canonical SMILES for N-(cyclohexylideneamino)butan-2-amine is CCC(C)NN=C1CCCCC1.
What is the InChIKey of N-(cyclohexylideneamino)butan-2-amine?
The InChIKey is ZBMWBDIVAJGXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-3-9(2)11-12-10-7-5-4-6-8-10/h9,11H,3-8H2,1-2H3.
What are the key properties of N-(cyclohexylideneamino)butan-2-amine?
N-(cyclohexylideneamino)butan-2-amine 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-(cyclohexylideneamino)butan-2-amine is sourced from PubChem (CID 21387223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).