2-propan-2-yliminoethanamine

C5H12N2 — CID 163684613

IUPAC2-propan-2-yliminoethanamine
SMILESCC(C)/N=C/CN
InChIInChI=1S/C5H12N2/c1-5(2)7-4-3-6/h4-5H,3,6H2,1-2H3/b7-4+
InChIKeyJNTHRMGMUQORAS-QPJJXVBHSA-N
MW100.16 g/mol
LogP0.42
Rot. Bonds2

About 2-propan-2-yliminoethanamine

2-propan-2-yliminoethanamine (PubChem CID 163684613) has the molecular formula C5H12N2 and a molecular weight of 100.16 g/mol. Its IUPAC name is 2-propan-2-yliminoethanamine.

Molecular Properties

Compound Name2-propan-2-yliminoethanamine
PubChem CID163684613
Molecular FormulaC5H12N2
Molecular Weight100.16 g/mol
Exact Mass100.10
IUPAC Name2-propan-2-yliminoethanamine
SMILESCC(C)/N=C/CN
InChIInChI=1S/C5H12N2/c1-5(2)7-4-3-6/h4-5H,3,6H2,1-2H3/b7-4+
InChIKeyJNTHRMGMUQORAS-QPJJXVBHSA-N
XLogP0.42
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 ≤ 50.42
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 2-propan-2-yliminoethanamine?
The IUPAC name of 2-propan-2-yliminoethanamine (CID 163684613) is 2-propan-2-yliminoethanamine.
What is the SMILES notation for 2-propan-2-yliminoethanamine?
The canonical SMILES for 2-propan-2-yliminoethanamine is CC(C)/N=C/CN.
What is the InChIKey of 2-propan-2-yliminoethanamine?
The InChIKey is JNTHRMGMUQORAS-QPJJXVBHSA-N. The full InChI is InChI=1S/C5H12N2/c1-5(2)7-4-3-6/h4-5H,3,6H2,1-2H3/b7-4+.
What are the key properties of 2-propan-2-yliminoethanamine?
2-propan-2-yliminoethanamine has a molecular weight of 100.16 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yliminoethanamine is sourced from PubChem (CID 163684613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).