3-methyliminobutan-1-amine

C5H12N2 — CID 139522298

IUPAC3-methyliminobutan-1-amine
SMILESC/N=C(\C)CCN
InChIInChI=1S/C5H12N2/c1-5(7-2)3-4-6/h3-4,6H2,1-2H3/b7-5+
InChIKeyYJTZRFXTKMILMP-FNORWQNLSA-N
MW100.16 g/mol
LogP0.43
Rot. Bonds2

About 3-methyliminobutan-1-amine

3-methyliminobutan-1-amine (PubChem CID 139522298) has the molecular formula C5H12N2 and a molecular weight of 100.16 g/mol. Its IUPAC name is 3-methyliminobutan-1-amine.

Molecular Properties

Compound Name3-methyliminobutan-1-amine
PubChem CID139522298
Molecular FormulaC5H12N2
Molecular Weight100.16 g/mol
Exact Mass100.10
IUPAC Name3-methyliminobutan-1-amine
SMILESC/N=C(\C)CCN
InChIInChI=1S/C5H12N2/c1-5(7-2)3-4-6/h3-4,6H2,1-2H3/b7-5+
InChIKeyYJTZRFXTKMILMP-FNORWQNLSA-N
XLogP0.43
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 50.43
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

2-Amino-4-iminopentane
CID 123638071
4-ethylimino-N-fluoro-3-iminobutan-1-amine
CID 169683265
1,2-Ethanediamine, N-(1-methylethylidene)-
CID 10855392
3-Iminobutan-2-amine
CID 20687863
3-Iminobutan-1-amine
CID 53693962
4-Iminopentan-1-amine
CID 54148355
2-Iminobutan-1-amine
CID 54358419
2-(Butan-2-ylideneamino)ethanamine
CID 55284048
3-(Propan-2-ylideneamino)propan-1-amine
CID 55285856
3-Iminopentan-1-amine
CID 57102280
N-methyl-2-methyliminobutan-1-amine
CID 57184112
3-(2,2-Dimethylpropylimino)butan-1-amine
CID 57245961

Frequently Asked Questions

What is the IUPAC name of 3-methyliminobutan-1-amine?
The IUPAC name of 3-methyliminobutan-1-amine (CID 139522298) is 3-methyliminobutan-1-amine.
What is the SMILES notation for 3-methyliminobutan-1-amine?
The canonical SMILES for 3-methyliminobutan-1-amine is C/N=C(\C)CCN.
What is the InChIKey of 3-methyliminobutan-1-amine?
The InChIKey is YJTZRFXTKMILMP-FNORWQNLSA-N. The full InChI is InChI=1S/C5H12N2/c1-5(7-2)3-4-6/h3-4,6H2,1-2H3/b7-5+.
What are the key properties of 3-methyliminobutan-1-amine?
3-methyliminobutan-1-amine has a molecular weight of 100.16 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyliminobutan-1-amine is sourced from PubChem (CID 139522298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).