carbanide;2-iminopropyl-methyl-prop-2-enylazanium;methane

C9H22N2 — CID 160558588

IUPACcarbanide;2-iminopropyl-methyl-prop-2-enylazanium;methane
SMILESC.[CH3-].[H]/N=C(\C)C[NH+](C)CC=C
InChIInChI=1S/C7H14N2.CH4.CH3/c1-4-5-9(3)6-7(2)8;;/h4,8H,1,5-6H2,2-3H3;1H4;1H3/q;;-1/p+1/b8-7+;;
InChIKeyQYZYVYBYYUDDDZ-MIIBGCIDSA-O
MW158.29 g/mol
LogP0.81
Rot. Bonds4

About carbanide;2-iminopropyl-methyl-prop-2-enylazanium;methane

carbanide;2-iminopropyl-methyl-prop-2-enylazanium;methane (PubChem CID 160558588) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is carbanide;2-iminopropyl-methyl-prop-2-enylazanium;methane.

Molecular Properties

Compound Namecarbanide;2-iminopropyl-methyl-prop-2-enylazanium;methane
PubChem CID160558588
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC Namecarbanide;2-iminopropyl-methyl-prop-2-enylazanium;methane
SMILESC.[CH3-].[H]/N=C(\C)C[NH+](C)CC=C
InChIInChI=1S/C7H14N2.CH4.CH3/c1-4-5-9(3)6-7(2)8;;/h4,8H,1,5-6H2,2-3H3;1H4;1H3/q;;-1/p+1/b8-7+;;
InChIKeyQYZYVYBYYUDDDZ-MIIBGCIDSA-O
XLogP0.81
TPSA28.29 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.29
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbanide;2-iminopropyl-methyl-prop-2-enylazanium;methane?
The IUPAC name of carbanide;2-iminopropyl-methyl-prop-2-enylazanium;methane (CID 160558588) is carbanide;2-iminopropyl-methyl-prop-2-enylazanium;methane.
What is the SMILES notation for carbanide;2-iminopropyl-methyl-prop-2-enylazanium;methane?
The canonical SMILES for carbanide;2-iminopropyl-methyl-prop-2-enylazanium;methane is C.[CH3-].[H]/N=C(\C)C[NH+](C)CC=C.
What is the InChIKey of carbanide;2-iminopropyl-methyl-prop-2-enylazanium;methane?
The InChIKey is QYZYVYBYYUDDDZ-MIIBGCIDSA-O. The full InChI is InChI=1S/C7H14N2.CH4.CH3/c1-4-5-9(3)6-7(2)8;;/h4,8H,1,5-6H2,2-3H3;1H4;1H3/q;;-1/p+1/b8-7+;;.
What are the key properties of carbanide;2-iminopropyl-methyl-prop-2-enylazanium;methane?
carbanide;2-iminopropyl-methyl-prop-2-enylazanium;methane has a molecular weight of 158.29 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;2-iminopropyl-methyl-prop-2-enylazanium;methane is sourced from PubChem (CID 160558588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).