N-(propan-2-ylideneamino)butan-1-amine

C7H16N2 — CID 21452323

IUPACN-(propan-2-ylideneamino)butan-1-amine
SMILESCCCCNN=C(C)C
InChIInChI=1S/C7H16N2/c1-4-5-6-8-9-7(2)3/h8H,4-6H2,1-3H3
InChIKeyQFDNXYORGUYIAM-UHFFFAOYSA-N
MW128.22 g/mol
LogP1.77
Rot. Bonds4

About N-(propan-2-ylideneamino)butan-1-amine

N-(propan-2-ylideneamino)butan-1-amine (PubChem CID 21452323) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is N-(propan-2-ylideneamino)butan-1-amine.

Molecular Properties

Compound NameN-(propan-2-ylideneamino)butan-1-amine
PubChem CID21452323
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC NameN-(propan-2-ylideneamino)butan-1-amine
SMILESCCCCNN=C(C)C
InChIInChI=1S/C7H16N2/c1-4-5-6-8-9-7(2)3/h8H,4-6H2,1-3H3
InChIKeyQFDNXYORGUYIAM-UHFFFAOYSA-N
XLogP1.77
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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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Related Compounds

2-Propanone, propylhydrazone
CID 139018
2-Propanone, (1-methylethyl)hydrazone
CID 139019
3-Methyl-4,5-dihydro-1H-pyrazole
CID 558092
1H-Pyrazole, 3-ethyl-4,5-dihydro-
CID 558149
Acetone ethylhydrazone
CID 544861
Acetaldehyde n-butylhydrazone
CID 551171
2-Butanone, ethylhydrazone
CID 535835
cis-3.5-Dimethylpyrazolin
CID 12066842
3-(2-Propan-2-ylidenehydrazinyl)propanenitrile
CID 12249931
N-(propylideneamino)butan-1-amine
CID 558883
Methylethylketone ethylhydrazone
CID 9601421
Acetone 2-aminoethylhydrazone
CID 12404884

Frequently Asked Questions

What is the IUPAC name of N-(propan-2-ylideneamino)butan-1-amine?
The IUPAC name of N-(propan-2-ylideneamino)butan-1-amine (CID 21452323) is N-(propan-2-ylideneamino)butan-1-amine.
What is the SMILES notation for N-(propan-2-ylideneamino)butan-1-amine?
The canonical SMILES for N-(propan-2-ylideneamino)butan-1-amine is CCCCNN=C(C)C.
What is the InChIKey of N-(propan-2-ylideneamino)butan-1-amine?
The InChIKey is QFDNXYORGUYIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2/c1-4-5-6-8-9-7(2)3/h8H,4-6H2,1-3H3.
What are the key properties of N-(propan-2-ylideneamino)butan-1-amine?
N-(propan-2-ylideneamino)butan-1-amine has a molecular weight of 128.22 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(propan-2-ylideneamino)butan-1-amine is sourced from PubChem (CID 21452323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).