deuteriomethane;ethane;2-phenylguanidine

C10H19N3 — CID 91130505

IUPACdeuteriomethane;ethane;2-phenylguanidine
SMILESCC.NC(N)=Nc1ccccc1.[2H]C
InChIInChI=1S/C7H9N3.C2H6.CH4/c8-7(9)10-6-4-2-1-3-5-6;1-2;/h1-5H,(H4,8,9,10);1-2H3;1H4/i;;1D
InChIKeyXPNFXZLYCWGADY-PRQZKWGPSA-N
MW182.29 g/mol
LogP2.25
Rot. Bonds1

About deuteriomethane;ethane;2-phenylguanidine

deuteriomethane;ethane;2-phenylguanidine (PubChem CID 91130505) has the molecular formula C10H19N3 and a molecular weight of 182.29 g/mol. Its IUPAC name is deuteriomethane;ethane;2-phenylguanidine.

Molecular Properties

Compound Namedeuteriomethane;ethane;2-phenylguanidine
PubChem CID91130505
Molecular FormulaC10H19N3
Molecular Weight182.29 g/mol
Exact Mass182.16
IUPAC Namedeuteriomethane;ethane;2-phenylguanidine
SMILESCC.NC(N)=Nc1ccccc1.[2H]C
InChIInChI=1S/C7H9N3.C2H6.CH4/c8-7(9)10-6-4-2-1-3-5-6;1-2;/h1-5H,(H4,8,9,10);1-2H3;1H4/i;;1D
InChIKeyXPNFXZLYCWGADY-PRQZKWGPSA-N
XLogP2.25
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bis(2-phenylguanidine);dihydrochloride
CID 160984545
ethanol;2-phenylguanidine
CID 172840613
2-(4-benzylphenyl)guanidine;hydrochloride
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3-acetyl-2-hydroxybenzoic acid;2-phenylguanidine
CID 70542552
2-(4-methylphenyl)guanidine;hydrochloride
CID 3028500
azane;2-(4-methylphenyl)guanidine
CID 172751004
methyl N-(diaminomethylidene)-N'-phenylcarbamimidothioate;hydroiodide
CID 117067087
2-N,3-N-diphenylbutane-2,3-diimine;dihydrochloride
CID 172723144
1-N',4-N'-diphenylbenzene-1,4-dicarboximidamide;dihydrochloride
CID 131872163
2,4-dimethyl-N-phenylpentan-3-imine
CID 14316363
didodecyl hydrogen phosphate;2-phenylguanidine
CID 160860640
2-(4-methoxyphenyl)guanidine;hydrochloride
CID 22594132

Frequently Asked Questions

What is the IUPAC name of deuteriomethane;ethane;2-phenylguanidine?
The IUPAC name of deuteriomethane;ethane;2-phenylguanidine (CID 91130505) is deuteriomethane;ethane;2-phenylguanidine.
What is the SMILES notation for deuteriomethane;ethane;2-phenylguanidine?
The canonical SMILES for deuteriomethane;ethane;2-phenylguanidine is CC.NC(N)=Nc1ccccc1.[2H]C.
What is the InChIKey of deuteriomethane;ethane;2-phenylguanidine?
The InChIKey is XPNFXZLYCWGADY-PRQZKWGPSA-N. The full InChI is InChI=1S/C7H9N3.C2H6.CH4/c8-7(9)10-6-4-2-1-3-5-6;1-2;/h1-5H,(H4,8,9,10);1-2H3;1H4/i;;1D.
What are the key properties of deuteriomethane;ethane;2-phenylguanidine?
deuteriomethane;ethane;2-phenylguanidine has a molecular weight of 182.29 g/mol, XLogP of 2.25, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for deuteriomethane;ethane;2-phenylguanidine is sourced from PubChem (CID 91130505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).