ethane;2-methylguanidine;molecular hydrogen

C4H17N3 — CID 142083082

IUPACethane;2-methylguanidine;molecular hydrogen
SMILESCC.CN=C(N)N.[H][H].[H][H]
InChIInChI=1S/C2H7N3.C2H6.2H2/c1-5-2(3)4;1-2;;/h1H3,(H4,3,4,5);1-2H3;2*1H
InChIKeyWCGMTVHJTROUGR-UHFFFAOYSA-N
MW107.20 g/mol
LogP0.41
Rot. Bonds

About ethane;2-methylguanidine;molecular hydrogen

ethane;2-methylguanidine;molecular hydrogen (PubChem CID 142083082) has the molecular formula C4H17N3 and a molecular weight of 107.20 g/mol. Its IUPAC name is ethane;2-methylguanidine;molecular hydrogen.

Molecular Properties

Compound Nameethane;2-methylguanidine;molecular hydrogen
PubChem CID142083082
Molecular FormulaC4H17N3
Molecular Weight107.20 g/mol
Exact Mass107.14
IUPAC Nameethane;2-methylguanidine;molecular hydrogen
SMILESCC.CN=C(N)N.[H][H].[H][H]
InChIInChI=1S/C2H7N3.C2H6.2H2/c1-5-2(3)4;1-2;;/h1H3,(H4,3,4,5);1-2H3;2*1H
InChIKeyWCGMTVHJTROUGR-UHFFFAOYSA-N
XLogP0.41
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.20
LogP ≤ 50.41
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

Ethane;2-methylguanidine
CID 91225804
Ethane;2-methylguanidine;propane
CID 141766717
Ethane;2-propylguanidine
CID 141922444
N-(aminomethylidene)-N'-methylmethanimidamide;ethane
CID 141929924
N-(aminomethylidene)methanimidamide;ethane
CID 142058983
ethane;N'-methanimidoyl-N-methylidenemethanimidamide
CID 142833987
ethane;N'-methylmethanimidamide
CID 143416555
Ethane;2-ethylguanidine
CID 145018859
Ethane;bis(2-methylguanidine)
CID 157762732
2-Ethylguanidine;methane
CID 158655752
CID 158720944
CID 158720944
2-Ethylguanidine;2-methylguanidine
CID 158740686

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylguanidine;molecular hydrogen?
The IUPAC name of ethane;2-methylguanidine;molecular hydrogen (CID 142083082) is ethane;2-methylguanidine;molecular hydrogen.
What is the SMILES notation for ethane;2-methylguanidine;molecular hydrogen?
The canonical SMILES for ethane;2-methylguanidine;molecular hydrogen is CC.CN=C(N)N.[H][H].[H][H].
What is the InChIKey of ethane;2-methylguanidine;molecular hydrogen?
The InChIKey is WCGMTVHJTROUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7N3.C2H6.2H2/c1-5-2(3)4;1-2;;/h1H3,(H4,3,4,5);1-2H3;2*1H.
What are the key properties of ethane;2-methylguanidine;molecular hydrogen?
ethane;2-methylguanidine;molecular hydrogen has a molecular weight of 107.20 g/mol, XLogP of 0.41, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylguanidine;molecular hydrogen is sourced from PubChem (CID 142083082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).