2-(propylideneamino)propan-1-amine

C6H14N2 — CID 147518920

IUPAC2-(propylideneamino)propan-1-amine
SMILESCC/C=N/C(C)CN
InChIInChI=1S/C6H14N2/c1-3-4-8-6(2)5-7/h4,6H,3,5,7H2,1-2H3/b8-4+
InChIKeyFKTWWBVRRHIAJP-XBXARRHUSA-N
MW114.19 g/mol
LogP0.81
Rot. Bonds3

About 2-(propylideneamino)propan-1-amine

2-(propylideneamino)propan-1-amine (PubChem CID 147518920) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is 2-(propylideneamino)propan-1-amine.

Molecular Properties

Compound Name2-(propylideneamino)propan-1-amine
PubChem CID147518920
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC Name2-(propylideneamino)propan-1-amine
SMILESCC/C=N/C(C)CN
InChIInChI=1S/C6H14N2/c1-3-4-8-6(2)5-7/h4,6H,3,5,7H2,1-2H3/b8-4+
InChIKeyFKTWWBVRRHIAJP-XBXARRHUSA-N
XLogP0.81
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butan-2-ylpropan-1-imine;ethane
CID 143076356
2-propan-2-yliminoethanamine
CID 163684613
4-amino-1-iodo-6-(propylideneamino)heptan-2-ol
CID 163599563
N'-butan-2-ylmethanimidamide
CID 13225428
N-(4,6-dimethylheptan-3-yl)propan-1-imine
CID 91300842
2-methylpropan-1-amine;dihydrobromide
CID 172812560
2-(methyldiazenyl)propan-1-amine
CID 90882233
ethane;methane;2-methylpropan-1-amine
CID 164904154
aminomethyl-dihydroxy-methylphosphanium
CID 6395030
N-methyl-N-[(Z)-propylideneamino]propan-2-amine
CID 167054285
1-cyclopropyl-N-(1-cyclopropylpropan-2-yl)-N-methylethane-1,2-diamine
CID 116651488
(2S)-3-hydroxy-2-(propylideneamino)propanal
CID 118584721

Frequently Asked Questions

What is the IUPAC name of 2-(propylideneamino)propan-1-amine?
The IUPAC name of 2-(propylideneamino)propan-1-amine (CID 147518920) is 2-(propylideneamino)propan-1-amine.
What is the SMILES notation for 2-(propylideneamino)propan-1-amine?
The canonical SMILES for 2-(propylideneamino)propan-1-amine is CC/C=N/C(C)CN.
What is the InChIKey of 2-(propylideneamino)propan-1-amine?
The InChIKey is FKTWWBVRRHIAJP-XBXARRHUSA-N. The full InChI is InChI=1S/C6H14N2/c1-3-4-8-6(2)5-7/h4,6H,3,5,7H2,1-2H3/b8-4+.
What are the key properties of 2-(propylideneamino)propan-1-amine?
2-(propylideneamino)propan-1-amine has a molecular weight of 114.19 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylideneamino)propan-1-amine is sourced from PubChem (CID 147518920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).