2-iminopropyl-methyl-prop-2-enylazanium

C7H15N2+ — CID 153279990

IUPAC2-iminopropyl-methyl-prop-2-enylazanium
SMILES[H]/N=C(\C)C[NH+](C)CC=C
InChIInChI=1S/C7H14N2/c1-4-5-9(3)6-7(2)8/h4,8H,1,5-6H2,2-3H3/p+1/b8-7+
InChIKeyQERBTADHFHMXGI-BQYQJAHWSA-O
MW127.21 g/mol
LogP-0.27
Rot. Bonds4

About 2-iminopropyl-methyl-prop-2-enylazanium

2-iminopropyl-methyl-prop-2-enylazanium (PubChem CID 153279990) has the molecular formula C7H15N2+ and a molecular weight of 127.21 g/mol. Its IUPAC name is 2-iminopropyl-methyl-prop-2-enylazanium.

Molecular Properties

Compound Name2-iminopropyl-methyl-prop-2-enylazanium
PubChem CID153279990
Molecular FormulaC7H15N2+
Molecular Weight127.21 g/mol
Exact Mass127.12
IUPAC Name2-iminopropyl-methyl-prop-2-enylazanium
SMILES[H]/N=C(\C)C[NH+](C)CC=C
InChIInChI=1S/C7H14N2/c1-4-5-9(3)6-7(2)8/h4,8H,1,5-6H2,2-3H3/p+1/b8-7+
InChIKeyQERBTADHFHMXGI-BQYQJAHWSA-O
XLogP-0.27
TPSA28.29 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.21
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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
2-imino-N-methyl-N-prop-2-enylpropan-1-amine
CID 146262565
2-imino-N-propan-2-yl-N-prop-2-enylpropan-1-amine
CID 155323046
2-imino-N-prop-2-enylpropan-1-amine
CID 155330377
Carbanide;2-iminopropyl-methyl-prop-2-enylazanium;methane
CID 160558588
1-imino-N-prop-2-enylbutan-2-amine
CID 169257245

Frequently Asked Questions

What is the IUPAC name of 2-iminopropyl-methyl-prop-2-enylazanium?
The IUPAC name of 2-iminopropyl-methyl-prop-2-enylazanium (CID 153279990) is 2-iminopropyl-methyl-prop-2-enylazanium.
What is the SMILES notation for 2-iminopropyl-methyl-prop-2-enylazanium?
The canonical SMILES for 2-iminopropyl-methyl-prop-2-enylazanium is [H]/N=C(\C)C[NH+](C)CC=C.
What is the InChIKey of 2-iminopropyl-methyl-prop-2-enylazanium?
The InChIKey is QERBTADHFHMXGI-BQYQJAHWSA-O. The full InChI is InChI=1S/C7H14N2/c1-4-5-9(3)6-7(2)8/h4,8H,1,5-6H2,2-3H3/p+1/b8-7+.
What are the key properties of 2-iminopropyl-methyl-prop-2-enylazanium?
2-iminopropyl-methyl-prop-2-enylazanium has a molecular weight of 127.21 g/mol, XLogP of -0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iminopropyl-methyl-prop-2-enylazanium is sourced from PubChem (CID 153279990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).