2-(propan-2-ylideneamino)ethanamine

C5H12N2 — CID 10855392

IUPAC2-(propan-2-ylideneamino)ethanamine
SMILESCC(C)=NCCN
InChIInChI=1S/C5H12N2/c1-5(2)7-4-3-6/h3-4,6H2,1-2H3
InChIKeyQIGHAFWTIXLMDF-UHFFFAOYSA-N
MW100.16 g/mol
LogP0.43
Rot. Bonds2

About 2-(propan-2-ylideneamino)ethanamine

2-(propan-2-ylideneamino)ethanamine (PubChem CID 10855392) has the molecular formula C5H12N2 and a molecular weight of 100.16 g/mol. Its IUPAC name is 2-(propan-2-ylideneamino)ethanamine.

Molecular Properties

Compound Name2-(propan-2-ylideneamino)ethanamine
PubChem CID10855392
Molecular FormulaC5H12N2
Molecular Weight100.16 g/mol
Exact Mass100.10
IUPAC Name2-(propan-2-ylideneamino)ethanamine
SMILESCC(C)=NCCN
InChIInChI=1S/C5H12N2/c1-5(2)7-4-3-6/h3-4,6H2,1-2H3
InChIKeyQIGHAFWTIXLMDF-UHFFFAOYSA-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

Propan-2-yl(propan-2-ylidene)azanium
CID 6995479
2-(Butan-2-ylideneamino)ethanamine
CID 55284048
3-(Propan-2-ylideneamino)propan-1-amine
CID 55285856
Ethyl(propan-2-ylidene)azanium
CID 58915956
1-(Ethylideneamino)propan-2-ylazanium
CID 59074127
2-Methyliminobutan-1-amine
CID 59938695
(Propan-2-ylideneamino)methanamine
CID 59969218
4-Methyl-2,3-dihydroazet-3-amine
CID 68867597
2-(Propan-2-ylideneamino)propan-1-amine
CID 85753747
3-Propan-2-yliminobutan-2-amine
CID 90768823
1-(Propan-2-ylideneamino)butan-1-amine
CID 91281743
4-(Propan-2-ylideneamino)butan-1-amine
CID 91612367

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylideneamino)ethanamine?
The IUPAC name of 2-(propan-2-ylideneamino)ethanamine (CID 10855392) is 2-(propan-2-ylideneamino)ethanamine.
What is the SMILES notation for 2-(propan-2-ylideneamino)ethanamine?
The canonical SMILES for 2-(propan-2-ylideneamino)ethanamine is CC(C)=NCCN.
What is the InChIKey of 2-(propan-2-ylideneamino)ethanamine?
The InChIKey is QIGHAFWTIXLMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2/c1-5(2)7-4-3-6/h3-4,6H2,1-2H3.
What are the key properties of 2-(propan-2-ylideneamino)ethanamine?
2-(propan-2-ylideneamino)ethanamine 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-(propan-2-ylideneamino)ethanamine is sourced from PubChem (CID 10855392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).