(2-amino-2-methylhydrazinyl)-(3-methylphenyl)methanamine;ethane

C13H28N4 — CID 142338489

IUPAC(2-amino-2-methylhydrazinyl)-(3-methylphenyl)methanamine;ethane
SMILESCC.CC.Cc1cccc(C(N)NN(C)N)c1
InChIInChI=1S/C9H16N4.2C2H6/c1-7-4-3-5-8(6-7)9(10)12-13(2)11;2*1-2/h3-6,9,12H,10-11H2,1-2H3;2*1-2H3
InChIKeyNAUJAXATFOXABL-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.31
Rot. Bonds3

About (2-amino-2-methylhydrazinyl)-(3-methylphenyl)methanamine;ethane

(2-amino-2-methylhydrazinyl)-(3-methylphenyl)methanamine;ethane (PubChem CID 142338489) has the molecular formula C13H28N4 and a molecular weight of 240.39 g/mol. Its IUPAC name is (2-amino-2-methylhydrazinyl)-(3-methylphenyl)methanamine;ethane.

Molecular Properties

Compound Name(2-amino-2-methylhydrazinyl)-(3-methylphenyl)methanamine;ethane
PubChem CID142338489
Molecular FormulaC13H28N4
Molecular Weight240.39 g/mol
Exact Mass240.23
IUPAC Name(2-amino-2-methylhydrazinyl)-(3-methylphenyl)methanamine;ethane
SMILESCC.CC.Cc1cccc(C(N)NN(C)N)c1
InChIInChI=1S/C9H16N4.2C2H6/c1-7-4-3-5-8(6-7)9(10)12-13(2)11;2*1-2/h3-6,9,12H,10-11H2,1-2H3;2*1-2H3
InChIKeyNAUJAXATFOXABL-UHFFFAOYSA-N
XLogP2.31
TPSA67.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 156724864
CID 156724864
N'-methyl-1-(3-methylphenyl)-N'-propylethane-1,2-diamine
CID 61308176
(3-methylphenyl)methanediamine;dihydrochloride
CID 67649251
N'-ethyl-1-(3-methylphenyl)-N'-propylethane-1,2-diamine
CID 61311067
1-N,1-N-dimethyl-1-(3-methylphenyl)butane-1,3-diamine
CID 116904868
N'-methyl-1-(3-methylphenyl)-N'-pentan-3-ylpropane-1,3-diamine
CID 62628722
ethane;1-methyl-3-propan-2-ylbenzene
CID 142020139
(1R)-2,2-dimethyl-1-(3-methylphenyl)propan-1-amine
CID 93312698
(1R)-2-methyl-1-(3-methylphenyl)propan-1-amine
CID 45072365
1-methyl-3-[1,2,2-tris(3-methylphenyl)ethyl]benzene
CID 117071538
ethane;3,3,3-trifluoro-1-(3-methylphenyl)propan-1-amine
CID 156724875
benzene;ethane;1-methyl-3-propan-2-ylbenzene
CID 143383161

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-methylhydrazinyl)-(3-methylphenyl)methanamine;ethane?
The IUPAC name of (2-amino-2-methylhydrazinyl)-(3-methylphenyl)methanamine;ethane (CID 142338489) is (2-amino-2-methylhydrazinyl)-(3-methylphenyl)methanamine;ethane.
What is the SMILES notation for (2-amino-2-methylhydrazinyl)-(3-methylphenyl)methanamine;ethane?
The canonical SMILES for (2-amino-2-methylhydrazinyl)-(3-methylphenyl)methanamine;ethane is CC.CC.Cc1cccc(C(N)NN(C)N)c1.
What is the InChIKey of (2-amino-2-methylhydrazinyl)-(3-methylphenyl)methanamine;ethane?
The InChIKey is NAUJAXATFOXABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4.2C2H6/c1-7-4-3-5-8(6-7)9(10)12-13(2)11;2*1-2/h3-6,9,12H,10-11H2,1-2H3;2*1-2H3.
What are the key properties of (2-amino-2-methylhydrazinyl)-(3-methylphenyl)methanamine;ethane?
(2-amino-2-methylhydrazinyl)-(3-methylphenyl)methanamine;ethane has a molecular weight of 240.39 g/mol, XLogP of 2.31, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-methylhydrazinyl)-(3-methylphenyl)methanamine;ethane is sourced from PubChem (CID 142338489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).