2-imino-N-prop-2-enylpropan-1-amine

C6H12N2 — CID 155330377

IUPAC2-imino-N-prop-2-enylpropan-1-amine
SMILES[H]/N=C(\C)CNCC=C
InChIInChI=1S/C6H12N2/c1-3-4-8-5-6(2)7/h3,7-8H,1,4-5H2,2H3/b7-6+
InChIKeyJAFJPLKABXKFIO-VOTSOKGWSA-N
MW112.18 g/mol
LogP0.80
Rot. Bonds4

About 2-imino-N-prop-2-enylpropan-1-amine

2-imino-N-prop-2-enylpropan-1-amine (PubChem CID 155330377) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 2-imino-N-prop-2-enylpropan-1-amine.

Molecular Properties

Compound Name2-imino-N-prop-2-enylpropan-1-amine
PubChem CID155330377
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name2-imino-N-prop-2-enylpropan-1-amine
SMILES[H]/N=C(\C)CNCC=C
InChIInChI=1S/C6H12N2/c1-3-4-8-5-6(2)7/h3,7-8H,1,4-5H2,2H3/b7-6+
InChIKeyJAFJPLKABXKFIO-VOTSOKGWSA-N
XLogP0.80
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-iminobut-3-en-1-amine
CID 123563525
N-ethyl-2-methyliminobut-3-en-1-amine
CID 130440572
2-imino-N-methyl-N-prop-2-enylpropan-1-amine
CID 146262565
2-Iminopropyl-methyl-prop-2-enylazanium
CID 153279990
Carbanide;2-iminopropyl-methyl-prop-2-enylazanium;methane
CID 160558588
(Z)-N-methyl-3-(propan-2-ylideneamino)prop-2-en-1-amine
CID 167287780
1-imino-N-prop-2-enylbutan-2-amine
CID 169257245

Frequently Asked Questions

What is the IUPAC name of 2-imino-N-prop-2-enylpropan-1-amine?
The IUPAC name of 2-imino-N-prop-2-enylpropan-1-amine (CID 155330377) is 2-imino-N-prop-2-enylpropan-1-amine.
What is the SMILES notation for 2-imino-N-prop-2-enylpropan-1-amine?
The canonical SMILES for 2-imino-N-prop-2-enylpropan-1-amine is [H]/N=C(\C)CNCC=C.
What is the InChIKey of 2-imino-N-prop-2-enylpropan-1-amine?
The InChIKey is JAFJPLKABXKFIO-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H12N2/c1-3-4-8-5-6(2)7/h3,7-8H,1,4-5H2,2H3/b7-6+.
What are the key properties of 2-imino-N-prop-2-enylpropan-1-amine?
2-imino-N-prop-2-enylpropan-1-amine has a molecular weight of 112.18 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-N-prop-2-enylpropan-1-amine is sourced from PubChem (CID 155330377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).