(2S)-3-imino-N-methylbutan-2-amine

C5H12N2 — CID 147887389

IUPAC(2S)-3-imino-N-methylbutan-2-amine
SMILES[H]/N=C(\C)[C@H](C)NC
InChIInChI=1S/C5H12N2/c1-4(6)5(2)7-3/h5-7H,1-3H3/b6-4+/t5-/m0/s1
InChIKeyIBPJOOBPURLFBY-WHEKYOLUSA-N
MW100.16 g/mol
LogP0.63
Rot. Bonds2

About (2S)-3-imino-N-methylbutan-2-amine

(2S)-3-imino-N-methylbutan-2-amine (PubChem CID 147887389) has the molecular formula C5H12N2 and a molecular weight of 100.16 g/mol. Its IUPAC name is (2S)-3-imino-N-methylbutan-2-amine.

Molecular Properties

Compound Name(2S)-3-imino-N-methylbutan-2-amine
PubChem CID147887389
Molecular FormulaC5H12N2
Molecular Weight100.16 g/mol
Exact Mass100.10
IUPAC Name(2S)-3-imino-N-methylbutan-2-amine
SMILES[H]/N=C(\C)[C@H](C)NC
InChIInChI=1S/C5H12N2/c1-4(6)5(2)7-3/h5-7H,1-3H3/b6-4+/t5-/m0/s1
InChIKeyIBPJOOBPURLFBY-WHEKYOLUSA-N
XLogP0.63
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-imino-N-methylbutan-2-amine?
The IUPAC name of (2S)-3-imino-N-methylbutan-2-amine (CID 147887389) is (2S)-3-imino-N-methylbutan-2-amine.
What is the SMILES notation for (2S)-3-imino-N-methylbutan-2-amine?
The canonical SMILES for (2S)-3-imino-N-methylbutan-2-amine is [H]/N=C(\C)[C@H](C)NC.
What is the InChIKey of (2S)-3-imino-N-methylbutan-2-amine?
The InChIKey is IBPJOOBPURLFBY-WHEKYOLUSA-N. The full InChI is InChI=1S/C5H12N2/c1-4(6)5(2)7-3/h5-7H,1-3H3/b6-4+/t5-/m0/s1.
What are the key properties of (2S)-3-imino-N-methylbutan-2-amine?
(2S)-3-imino-N-methylbutan-2-amine has a molecular weight of 100.16 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-imino-N-methylbutan-2-amine is sourced from PubChem (CID 147887389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).