1,2-dimethyl-1-(3-methylphenyl)guanidine;ethane

C12H21N3 — CID 144789417

IUPAC1,2-dimethyl-1-(3-methylphenyl)guanidine;ethane
SMILESC/N=C(\N)N(C)c1cccc(C)c1.CC
InChIInChI=1S/C10H15N3.C2H6/c1-8-5-4-6-9(7-8)13(3)10(11)12-2;1-2/h4-7H,1-3H3,(H2,11,12);1-2H3
InChIKeyDPGDAXYAHFRLGQ-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.40
Rot. Bonds1

About 1,2-dimethyl-1-(3-methylphenyl)guanidine;ethane

1,2-dimethyl-1-(3-methylphenyl)guanidine;ethane (PubChem CID 144789417) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1,2-dimethyl-1-(3-methylphenyl)guanidine;ethane.

Molecular Properties

Compound Name1,2-dimethyl-1-(3-methylphenyl)guanidine;ethane
PubChem CID144789417
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1,2-dimethyl-1-(3-methylphenyl)guanidine;ethane
SMILESC/N=C(\N)N(C)c1cccc(C)c1.CC
InChIInChI=1S/C10H15N3.C2H6/c1-8-5-4-6-9(7-8)13(3)10(11)12-2;1-2/h4-7H,1-3H3,(H2,11,12);1-2H3
InChIKeyDPGDAXYAHFRLGQ-UHFFFAOYSA-N
XLogP2.40
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.40
H-Bond Donors ≤ 51
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

1-N,1-N'-dimethyl-1-N,1-N'-bis(3-methylphenyl)prop-1-ene-1,1-diamine
CID 70524092
2-amino-N-methyl-N-(3-methylphenyl)acetamide
CID 28794377
N-methyl-N-(3-methylphenyl)ethanimidamide
CID 63173195
CID 138691650
CID 138691650
N,2-dimethyl-N-(3-methylphenyl)benzamide;ethane
CID 91376275
1-(3-chlorophenyl)-2-hydroxy-1-methylguanidine
CID 88840581
CID 70331685
CID 70331685
CID 145278615
CID 145278615
N,3-dimethyl-N-(methylideneamino)aniline
CID 90709546
2-amino-N-methyl-N-(3-methylphenyl)-2-phenylacetamide
CID 76931148
ethane;3-methyl-N,N-diphenylaniline
CID 145208007
2-N',2-N',4-N',4-N',6-N',6-N',8-N',8-N'-octakis(3-methylphenyl)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene-2,2,4,4,6,6,8,8-octamine
CID 21139741

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-1-(3-methylphenyl)guanidine;ethane?
The IUPAC name of 1,2-dimethyl-1-(3-methylphenyl)guanidine;ethane (CID 144789417) is 1,2-dimethyl-1-(3-methylphenyl)guanidine;ethane.
What is the SMILES notation for 1,2-dimethyl-1-(3-methylphenyl)guanidine;ethane?
The canonical SMILES for 1,2-dimethyl-1-(3-methylphenyl)guanidine;ethane is C/N=C(\N)N(C)c1cccc(C)c1.CC.
What is the InChIKey of 1,2-dimethyl-1-(3-methylphenyl)guanidine;ethane?
The InChIKey is DPGDAXYAHFRLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3.C2H6/c1-8-5-4-6-9(7-8)13(3)10(11)12-2;1-2/h4-7H,1-3H3,(H2,11,12);1-2H3.
What are the key properties of 1,2-dimethyl-1-(3-methylphenyl)guanidine;ethane?
1,2-dimethyl-1-(3-methylphenyl)guanidine;ethane has a molecular weight of 207.32 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-1-(3-methylphenyl)guanidine;ethane is sourced from PubChem (CID 144789417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).