2-methyliminobutan-1-amine

C5H12N2 — CID 59938695

IUPAC2-methyliminobutan-1-amine
SMILESCC/C(CN)=N\C
InChIInChI=1S/C5H12N2/c1-3-5(4-6)7-2/h3-4,6H2,1-2H3/b7-5+
InChIKeyUQGKCKHXGSLENT-FNORWQNLSA-N
MW100.16 g/mol
LogP0.43
Rot. Bonds2

About 2-methyliminobutan-1-amine

2-methyliminobutan-1-amine (PubChem CID 59938695) has the molecular formula C5H12N2 and a molecular weight of 100.16 g/mol. Its IUPAC name is 2-methyliminobutan-1-amine.

Molecular Properties

Compound Name2-methyliminobutan-1-amine
PubChem CID59938695
Molecular FormulaC5H12N2
Molecular Weight100.16 g/mol
Exact Mass100.10
IUPAC Name2-methyliminobutan-1-amine
SMILESCC/C(CN)=N\C
InChIInChI=1S/C5H12N2/c1-3-5(4-6)7-2/h3-4,6H2,1-2H3/b7-5+
InChIKeyUQGKCKHXGSLENT-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

N-methylpentan-3-imine;N-pentan-3-ylidenehydroxylamine
CID 159028585
N-methyloctan-3-imine
CID 550941
1-cyclopropyl-N-methylbutan-2-imine
CID 91564052
methyl 2-amino-N-methylethanimidate
CID 44784852
(Z)-3-ethyl-4-methyliminopent-2-en-2-amine
CID 143420792
ethene;methyl 2-amino-N-methylethanimidate;hydrochloride
CID 44784851
2-aminoacetic acid;2-methylguanidine
CID 175416544
formamide;N-pentan-3-ylidenehydroxylamine
CID 158590176
N-(1-amino-10-hydroxyiminotetradecan-2-ylidene)hydroxylamine
CID 142657527
N-amino-N'-methylpropanimidamide;hydrochloride
CID 161226126
ethanamine;methanol
CID 159539719
N-(methylideneamino)pentan-3-imine
CID 123972689

Frequently Asked Questions

What is the IUPAC name of 2-methyliminobutan-1-amine?
The IUPAC name of 2-methyliminobutan-1-amine (CID 59938695) is 2-methyliminobutan-1-amine.
What is the SMILES notation for 2-methyliminobutan-1-amine?
The canonical SMILES for 2-methyliminobutan-1-amine is CC/C(CN)=N\C.
What is the InChIKey of 2-methyliminobutan-1-amine?
The InChIKey is UQGKCKHXGSLENT-FNORWQNLSA-N. The full InChI is InChI=1S/C5H12N2/c1-3-5(4-6)7-2/h3-4,6H2,1-2H3/b7-5+.
What are the key properties of 2-methyliminobutan-1-amine?
2-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 2-methyliminobutan-1-amine is sourced from PubChem (CID 59938695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).