amino-dimethyl-[(Z)-prop-1-enyl]azanium

C5H13N2+ — CID 163719927

IUPACamino-dimethyl-[(Z)-prop-1-enyl]azanium
SMILESC/C=C\[N+](C)(C)N
InChIInChI=1S/C5H13N2/c1-4-5-7(2,3)6/h4-5H,6H2,1-3H3/q+1/b5-4-
InChIKeyKPZHLRFRPRQYTN-PLNGDYQASA-N
MW101.17 g/mol
LogP0.47
Rot. Bonds1

About amino-dimethyl-[(Z)-prop-1-enyl]azanium

amino-dimethyl-[(Z)-prop-1-enyl]azanium (PubChem CID 163719927) has the molecular formula C5H13N2+ and a molecular weight of 101.17 g/mol. Its IUPAC name is amino-dimethyl-[(Z)-prop-1-enyl]azanium.

Molecular Properties

Compound Nameamino-dimethyl-[(Z)-prop-1-enyl]azanium
PubChem CID163719927
Molecular FormulaC5H13N2+
Molecular Weight101.17 g/mol
Exact Mass101.11
IUPAC Nameamino-dimethyl-[(Z)-prop-1-enyl]azanium
SMILESC/C=C\[N+](C)(C)N
InChIInChI=1S/C5H13N2/c1-4-5-7(2,3)6/h4-5H,6H2,1-3H3/q+1/b5-4-
InChIKeyKPZHLRFRPRQYTN-PLNGDYQASA-N
XLogP0.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.17
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

CID 18185605
CID 18185605
CID 129889956
CID 129889956
CID 134836119
CID 134836119
CID 12729736
CID 12729736
CID 23160337
CID 23160337
CID 23366714
CID 23366714
CID 57123448
CID 57123448
CID 57257224
CID 57257224
CID 67314030
CID 67314030
CID 68959761
CID 68959761
CID 87199349
CID 87199349
CID 87609233
CID 87609233

Frequently Asked Questions

What is the IUPAC name of amino-dimethyl-[(Z)-prop-1-enyl]azanium?
The IUPAC name of amino-dimethyl-[(Z)-prop-1-enyl]azanium (CID 163719927) is amino-dimethyl-[(Z)-prop-1-enyl]azanium.
What is the SMILES notation for amino-dimethyl-[(Z)-prop-1-enyl]azanium?
The canonical SMILES for amino-dimethyl-[(Z)-prop-1-enyl]azanium is C/C=C\[N+](C)(C)N.
What is the InChIKey of amino-dimethyl-[(Z)-prop-1-enyl]azanium?
The InChIKey is KPZHLRFRPRQYTN-PLNGDYQASA-N. The full InChI is InChI=1S/C5H13N2/c1-4-5-7(2,3)6/h4-5H,6H2,1-3H3/q+1/b5-4-.
What are the key properties of amino-dimethyl-[(Z)-prop-1-enyl]azanium?
amino-dimethyl-[(Z)-prop-1-enyl]azanium has a molecular weight of 101.17 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for amino-dimethyl-[(Z)-prop-1-enyl]azanium is sourced from PubChem (CID 163719927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).