dimethyl-[methylamino-(prop-2-enylamino)methylidene]azanium

C7H16N3+ — CID 102337416

IUPACdimethyl-[methylamino-(prop-2-enylamino)methylidene]azanium
SMILESC=CCNC(NC)=[N+](C)C
InChIInChI=1S/C7H15N3/c1-5-6-9-7(8-2)10(3)4/h5H,1,6H2,2-4H3,(H,8,9)/p+1
InChIKeyATVHXVTXWFFTTQ-UHFFFAOYSA-O
MW142.23 g/mol
LogP-0.39
Rot. Bonds2

About dimethyl-[methylamino-(prop-2-enylamino)methylidene]azanium

dimethyl-[methylamino-(prop-2-enylamino)methylidene]azanium (PubChem CID 102337416) has the molecular formula C7H16N3+ and a molecular weight of 142.23 g/mol. Its IUPAC name is dimethyl-[methylamino-(prop-2-enylamino)methylidene]azanium.

Molecular Properties

Compound Namedimethyl-[methylamino-(prop-2-enylamino)methylidene]azanium
PubChem CID102337416
Molecular FormulaC7H16N3+
Molecular Weight142.23 g/mol
Exact Mass142.13
IUPAC Namedimethyl-[methylamino-(prop-2-enylamino)methylidene]azanium
SMILESC=CCNC(NC)=[N+](C)C
InChIInChI=1S/C7H15N3/c1-5-6-9-7(8-2)10(3)4/h5H,1,6H2,2-4H3,(H,8,9)/p+1
InChIKeyATVHXVTXWFFTTQ-UHFFFAOYSA-O
XLogP-0.39
TPSA27.07 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.23
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-Allyl-3-(4-aminobutyl)guanidine
CID 135469301
Diallylguanidine
CID 15368370
2,3-Di(propan-2-yl)-1,1-bis(prop-2-enyl)guanidine
CID 11528677
1-Ethyl-3-prop-2-enyl-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 136926180
1-Ethyl-3-prop-2-enyl-2-(3,3,3-trifluoropropyl)guanidine
CID 136926181
2-(2-Fluoroethyl)-1-prop-2-enylguanidine
CID 137216592
N-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine
CID 12024894
2-(diethylamino)-6-(prop-2-enylamino)-1H-1,3,5-triazine-4-thione
CID 17841721
2-Methyl-1-prop-2-enylguanidine
CID 18952267
1-(Diaminomethylidene)-2-methyl-3-prop-2-enylguanidine
CID 21534138
1,1,2,3-Tetrakis(prop-2-enyl)guanidine
CID 21753361
3-(Diaminomethylidene)-1,2-dimethyl-1-prop-2-enylguanidine
CID 22915573

Frequently Asked Questions

What is the IUPAC name of dimethyl-[methylamino-(prop-2-enylamino)methylidene]azanium?
The IUPAC name of dimethyl-[methylamino-(prop-2-enylamino)methylidene]azanium (CID 102337416) is dimethyl-[methylamino-(prop-2-enylamino)methylidene]azanium.
What is the SMILES notation for dimethyl-[methylamino-(prop-2-enylamino)methylidene]azanium?
The canonical SMILES for dimethyl-[methylamino-(prop-2-enylamino)methylidene]azanium is C=CCNC(NC)=[N+](C)C.
What is the InChIKey of dimethyl-[methylamino-(prop-2-enylamino)methylidene]azanium?
The InChIKey is ATVHXVTXWFFTTQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H15N3/c1-5-6-9-7(8-2)10(3)4/h5H,1,6H2,2-4H3,(H,8,9)/p+1.
What are the key properties of dimethyl-[methylamino-(prop-2-enylamino)methylidene]azanium?
dimethyl-[methylamino-(prop-2-enylamino)methylidene]azanium has a molecular weight of 142.23 g/mol, XLogP of -0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[methylamino-(prop-2-enylamino)methylidene]azanium is sourced from PubChem (CID 102337416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).