(1S)-1-(propan-2-ylideneamino)ethanamine

C5H12N2 — CID 163630265

IUPAC(1S)-1-(propan-2-ylideneamino)ethanamine
SMILESCC(C)=N[C@@H](C)N
InChIInChI=1S/C5H12N2/c1-4(2)7-5(3)6/h5H,6H2,1-3H3/t5-/m0/s1
InChIKeyHVMIATADJSMZDU-YFKPBYRVSA-N
MW100.16 g/mol
LogP0.77
Rot. Bonds1

About (1S)-1-(propan-2-ylideneamino)ethanamine

(1S)-1-(propan-2-ylideneamino)ethanamine (PubChem CID 163630265) has the molecular formula C5H12N2 and a molecular weight of 100.16 g/mol. Its IUPAC name is (1S)-1-(propan-2-ylideneamino)ethanamine.

Molecular Properties

Compound Name(1S)-1-(propan-2-ylideneamino)ethanamine
PubChem CID163630265
Molecular FormulaC5H12N2
Molecular Weight100.16 g/mol
Exact Mass100.10
IUPAC Name(1S)-1-(propan-2-ylideneamino)ethanamine
SMILESCC(C)=N[C@@H](C)N
InChIInChI=1S/C5H12N2/c1-4(2)7-5(3)6/h5H,6H2,1-3H3/t5-/m0/s1
InChIKeyHVMIATADJSMZDU-YFKPBYRVSA-N
XLogP0.77
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 50.77
H-Bond Donors ≤ 51
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 (1S)-1-(propan-2-ylideneamino)ethanamine?
The IUPAC name of (1S)-1-(propan-2-ylideneamino)ethanamine (CID 163630265) is (1S)-1-(propan-2-ylideneamino)ethanamine.
What is the SMILES notation for (1S)-1-(propan-2-ylideneamino)ethanamine?
The canonical SMILES for (1S)-1-(propan-2-ylideneamino)ethanamine is CC(C)=N[C@@H](C)N.
What is the InChIKey of (1S)-1-(propan-2-ylideneamino)ethanamine?
The InChIKey is HVMIATADJSMZDU-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H12N2/c1-4(2)7-5(3)6/h5H,6H2,1-3H3/t5-/m0/s1.
What are the key properties of (1S)-1-(propan-2-ylideneamino)ethanamine?
(1S)-1-(propan-2-ylideneamino)ethanamine has a molecular weight of 100.16 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(propan-2-ylideneamino)ethanamine is sourced from PubChem (CID 163630265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).