N-[(Z)-butylideneamino]propan-1-amine

C7H16N2 — CID 5369173

IUPACN-[(Z)-butylideneamino]propan-1-amine
SMILESCCC/C=N\NCCC
InChIInChI=1S/C7H16N2/c1-3-5-7-9-8-6-4-2/h7-8H,3-6H2,1-2H3/b9-7-
InChIKeyAIRUFVHYFDRGLU-CLFYSBASSA-N
MW128.22 g/mol
LogP1.77
Rot. Bonds5

About N-[(Z)-butylideneamino]propan-1-amine

N-[(Z)-butylideneamino]propan-1-amine (PubChem CID 5369173) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is N-[(Z)-butylideneamino]propan-1-amine.

Molecular Properties

Compound NameN-[(Z)-butylideneamino]propan-1-amine
PubChem CID5369173
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC NameN-[(Z)-butylideneamino]propan-1-amine
SMILESCCC/C=N\NCCC
InChIInChI=1S/C7H16N2/c1-3-5-7-9-8-6-4-2/h7-8H,3-6H2,1-2H3/b9-7-
InChIKeyAIRUFVHYFDRGLU-CLFYSBASSA-N
XLogP1.77
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[(Z)-butylideneamino]propan-1-amine?
The IUPAC name of N-[(Z)-butylideneamino]propan-1-amine (CID 5369173) is N-[(Z)-butylideneamino]propan-1-amine.
What is the SMILES notation for N-[(Z)-butylideneamino]propan-1-amine?
The canonical SMILES for N-[(Z)-butylideneamino]propan-1-amine is CCC/C=N\NCCC.
What is the InChIKey of N-[(Z)-butylideneamino]propan-1-amine?
The InChIKey is AIRUFVHYFDRGLU-CLFYSBASSA-N. The full InChI is InChI=1S/C7H16N2/c1-3-5-7-9-8-6-4-2/h7-8H,3-6H2,1-2H3/b9-7-.
What are the key properties of N-[(Z)-butylideneamino]propan-1-amine?
N-[(Z)-butylideneamino]propan-1-amine has a molecular weight of 128.22 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-butylideneamino]propan-1-amine is sourced from PubChem (CID 5369173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).