1-(2,5-dimethylphenyl)-N-(hydrazinylmethyl)methanamine

C10H17N3 — CID 115260731

IUPAC1-(2,5-dimethylphenyl)-N-(hydrazinylmethyl)methanamine
SMILESCc1ccc(C)c(CNCNN)c1
InChIInChI=1S/C10H17N3/c1-8-3-4-9(2)10(5-8)6-12-7-13-11/h3-5,12-13H,6-7,11H2,1-2H3
InChIKeySEAWYOQXSLLCEE-UHFFFAOYSA-N
MW179.27 g/mol
LogP0.81
Rot. Bonds4

About 1-(2,5-dimethylphenyl)-N-(hydrazinylmethyl)methanamine

1-(2,5-dimethylphenyl)-N-(hydrazinylmethyl)methanamine (PubChem CID 115260731) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-N-(hydrazinylmethyl)methanamine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-N-(hydrazinylmethyl)methanamine
PubChem CID115260731
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name1-(2,5-dimethylphenyl)-N-(hydrazinylmethyl)methanamine
SMILESCc1ccc(C)c(CNCNN)c1
InChIInChI=1S/C10H17N3/c1-8-3-4-9(2)10(5-8)6-12-7-13-11/h3-5,12-13H,6-7,11H2,1-2H3
InChIKeySEAWYOQXSLLCEE-UHFFFAOYSA-N
XLogP0.81
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2,5-dimethylphenyl)-N-(hydrazinylmethyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,5-dimethylphenyl)-N-methylmethanamine;ethane
CID 142925583
2-[(2,5-dimethylphenyl)methylamino]ethylurea
CID 83111203
1-amino-3-[(2,5-dimethylphenyl)methyl]urea
CID 115192596
ethyl 3-[(2,5-dimethylphenyl)methylamino]propanoate
CID 23052926
N'-[(2,5-dimethylphenyl)methyl]-2-methylpropane-1,3-diamine
CID 115198457
(2,5-dimethylphenyl)methylcarbamic acid
CID 67570724
4-chloro-N-[(2,5-dimethylphenyl)methyl]butan-1-amine
CID 106844225
N-[(2,5-dimethylphenyl)methyl]-2,2-dimethylbutane-1,4-diamine
CID 115204385
N-[(2,5-dimethylphenyl)methyl]acetamide
CID 759326
N-(hydrazinylmethyl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 115261072
4-[[(2,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-amine
CID 115213416
2-[(2,5-dimethylphenyl)methylamino]ethyl carbamate
CID 83210925

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-N-(hydrazinylmethyl)methanamine?
The IUPAC name of 1-(2,5-dimethylphenyl)-N-(hydrazinylmethyl)methanamine (CID 115260731) is 1-(2,5-dimethylphenyl)-N-(hydrazinylmethyl)methanamine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-N-(hydrazinylmethyl)methanamine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-N-(hydrazinylmethyl)methanamine is Cc1ccc(C)c(CNCNN)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-N-(hydrazinylmethyl)methanamine?
The InChIKey is SEAWYOQXSLLCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-8-3-4-9(2)10(5-8)6-12-7-13-11/h3-5,12-13H,6-7,11H2,1-2H3.
What are the key properties of 1-(2,5-dimethylphenyl)-N-(hydrazinylmethyl)methanamine?
1-(2,5-dimethylphenyl)-N-(hydrazinylmethyl)methanamine has a molecular weight of 179.27 g/mol, XLogP of 0.81, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-N-(hydrazinylmethyl)methanamine is sourced from PubChem (CID 115260731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).