2-(propan-2-ylideneamino)prop-2-en-1-amine

C6H12N2 — CID 167219990

IUPAC2-(propan-2-ylideneamino)prop-2-en-1-amine
SMILESC=C(CN)N=C(C)C
InChIInChI=1S/C6H12N2/c1-5(2)8-6(3)4-7/h3-4,7H2,1-2H3
InChIKeyCHQLUFXOYVDWOF-UHFFFAOYSA-N
MW112.18 g/mol
LogP0.94
Rot. Bonds2

About 2-(propan-2-ylideneamino)prop-2-en-1-amine

2-(propan-2-ylideneamino)prop-2-en-1-amine (PubChem CID 167219990) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 2-(propan-2-ylideneamino)prop-2-en-1-amine.

Molecular Properties

Compound Name2-(propan-2-ylideneamino)prop-2-en-1-amine
PubChem CID167219990
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name2-(propan-2-ylideneamino)prop-2-en-1-amine
SMILESC=C(CN)N=C(C)C
InChIInChI=1S/C6H12N2/c1-5(2)8-6(3)4-7/h3-4,7H2,1-2H3
InChIKeyCHQLUFXOYVDWOF-UHFFFAOYSA-N
XLogP0.94
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.94
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-ylideneamino)prop-2-en-1-amine?
The IUPAC name of 2-(propan-2-ylideneamino)prop-2-en-1-amine (CID 167219990) is 2-(propan-2-ylideneamino)prop-2-en-1-amine.
What is the SMILES notation for 2-(propan-2-ylideneamino)prop-2-en-1-amine?
The canonical SMILES for 2-(propan-2-ylideneamino)prop-2-en-1-amine is C=C(CN)N=C(C)C.
What is the InChIKey of 2-(propan-2-ylideneamino)prop-2-en-1-amine?
The InChIKey is CHQLUFXOYVDWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-5(2)8-6(3)4-7/h3-4,7H2,1-2H3.
What are the key properties of 2-(propan-2-ylideneamino)prop-2-en-1-amine?
2-(propan-2-ylideneamino)prop-2-en-1-amine has a molecular weight of 112.18 g/mol, XLogP of 0.94, 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)prop-2-en-1-amine is sourced from PubChem (CID 167219990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).