N-amino-N,3-dimethylbenzenecarboximidamide;ethane

C13H25N3 — CID 143051619

IUPACN-amino-N,3-dimethylbenzenecarboximidamide;ethane
SMILESCC.CC.[H]/N=C(/c1cccc(C)c1)N(C)N
InChIInChI=1S/C9H13N3.2C2H6/c1-7-4-3-5-8(6-7)9(10)12(2)11;2*1-2/h3-6,10H,11H2,1-2H3;2*1-2H3/b10-9-;;
InChIKeyLEZGGCFJTAGKOR-XXAVUKJNSA-N
MW223.36 g/mol
LogP3.18
Rot. Bonds1

About N-amino-N,3-dimethylbenzenecarboximidamide;ethane

N-amino-N,3-dimethylbenzenecarboximidamide;ethane (PubChem CID 143051619) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is N-amino-N,3-dimethylbenzenecarboximidamide;ethane.

Molecular Properties

Compound NameN-amino-N,3-dimethylbenzenecarboximidamide;ethane
PubChem CID143051619
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC NameN-amino-N,3-dimethylbenzenecarboximidamide;ethane
SMILESCC.CC.[H]/N=C(/c1cccc(C)c1)N(C)N
InChIInChI=1S/C9H13N3.2C2H6/c1-7-4-3-5-8(6-7)9(10)12(2)11;2*1-2/h3-6,10H,11H2,1-2H3;2*1-2H3/b10-9-;;
InChIKeyLEZGGCFJTAGKOR-XXAVUKJNSA-N
XLogP3.18
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N,3-dimethylbenzenecarboximidamide
CID 175721191
methyl 3-methylbenzenecarboximidothioate
CID 58503711
ethane;N,N,3-trimethylbenzenecarbothioamide
CID 143449435
bis(3-methylphenyl)methanone
CID 17848
(Z)-3-imino-1-(3-methylphenyl)prop-1-en-1-amine
CID 145049021
3-imino-1-(3-methylphenyl)prop-1-en-1-amine
CID 148702605
N,N-diethyl-3-hydroxybenzenecarboximidamide
CID 107922201
3-methoxy-N,N-dimethylbenzenecarboximidamide
CID 63182019
2-(3-methylbenzenecarboximidoyl)benzene-1,4-diamine
CID 155482417
N-methyl-N-(3-methylphenyl)ethanimidamide
CID 63173195
N,N-dimethyl-3-(1,1,2,2,2-pentafluoroethylsulfanyl)benzenecarboximidamide
CID 175895292
1-methyl-1-[(3-methylphenyl)methyl]guanidine
CID 44827695

Frequently Asked Questions

What is the IUPAC name of N-amino-N,3-dimethylbenzenecarboximidamide;ethane?
The IUPAC name of N-amino-N,3-dimethylbenzenecarboximidamide;ethane (CID 143051619) is N-amino-N,3-dimethylbenzenecarboximidamide;ethane.
What is the SMILES notation for N-amino-N,3-dimethylbenzenecarboximidamide;ethane?
The canonical SMILES for N-amino-N,3-dimethylbenzenecarboximidamide;ethane is CC.CC.[H]/N=C(/c1cccc(C)c1)N(C)N.
What is the InChIKey of N-amino-N,3-dimethylbenzenecarboximidamide;ethane?
The InChIKey is LEZGGCFJTAGKOR-XXAVUKJNSA-N. The full InChI is InChI=1S/C9H13N3.2C2H6/c1-7-4-3-5-8(6-7)9(10)12(2)11;2*1-2/h3-6,10H,11H2,1-2H3;2*1-2H3/b10-9-;;.
What are the key properties of N-amino-N,3-dimethylbenzenecarboximidamide;ethane?
N-amino-N,3-dimethylbenzenecarboximidamide;ethane has a molecular weight of 223.36 g/mol, XLogP of 3.18, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N,3-dimethylbenzenecarboximidamide;ethane is sourced from PubChem (CID 143051619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).