2-N-[2-[cyclopropyl(methyl)amino]ethyl]benzene-1,2-diamine

C12H19N3 — CID 62975524

IUPAC2-N-[2-[cyclopropyl(methyl)amino]ethyl]benzene-1,2-diamine
SMILESCN(CCNc1ccccc1N)C1CC1
InChIInChI=1S/C12H19N3/c1-15(10-6-7-10)9-8-14-12-5-3-2-4-11(12)13/h2-5,10,14H,6-9,13H2,1H3
InChIKeyUCNOLCFFYUGMTF-UHFFFAOYSA-N
MW205.31 g/mol
LogP1.77
Rot. Bonds5

About 2-N-[2-[cyclopropyl(methyl)amino]ethyl]benzene-1,2-diamine

2-N-[2-[cyclopropyl(methyl)amino]ethyl]benzene-1,2-diamine (PubChem CID 62975524) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 2-N-[2-[cyclopropyl(methyl)amino]ethyl]benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-[cyclopropyl(methyl)amino]ethyl]benzene-1,2-diamine
PubChem CID62975524
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name2-N-[2-[cyclopropyl(methyl)amino]ethyl]benzene-1,2-diamine
SMILESCN(CCNc1ccccc1N)C1CC1
InChIInChI=1S/C12H19N3/c1-15(10-6-7-10)9-8-14-12-5-3-2-4-11(12)13/h2-5,10,14H,6-9,13H2,1H3
InChIKeyUCNOLCFFYUGMTF-UHFFFAOYSA-N
XLogP1.77
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylbenzene-1,3-diamine
CID 63314499
N-(2-bromophenyl)-N'-cyclopropyl-N'-methylethane-1,2-diamine
CID 62575788
4-chloro-1-N-[2-[cyclopropyl(methyl)amino]ethyl]benzene-1,2-diamine
CID 62976267
2-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-fluorobenzene-1,2-diamine
CID 62974996
N'-cyclopropyl-N-(2-ethylsulfonylphenyl)-N'-methylethane-1,2-diamine
CID 55142006
2-N-[2-[methyl(propan-2-yl)amino]ethyl]benzene-1,2-diamine
CID 62636793
N'-cyclopentyl-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine
CID 55085570
3-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methylbenzene-1,3-diamine
CID 62977758
3-amino-4-[2-[cyclopropyl(methyl)amino]ethylamino]benzamide
CID 62976085
2-bromo-1-N-[2-[cyclopropyl(methyl)amino]ethyl]benzene-1,4-diamine
CID 62976081
1-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107259201
2-amino-3-[2-[cyclopentyl(methyl)amino]ethylamino]benzenesulfonamide
CID 115992729

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-[cyclopropyl(methyl)amino]ethyl]benzene-1,2-diamine?
The IUPAC name of 2-N-[2-[cyclopropyl(methyl)amino]ethyl]benzene-1,2-diamine (CID 62975524) is 2-N-[2-[cyclopropyl(methyl)amino]ethyl]benzene-1,2-diamine.
What is the SMILES notation for 2-N-[2-[cyclopropyl(methyl)amino]ethyl]benzene-1,2-diamine?
The canonical SMILES for 2-N-[2-[cyclopropyl(methyl)amino]ethyl]benzene-1,2-diamine is CN(CCNc1ccccc1N)C1CC1.
What is the InChIKey of 2-N-[2-[cyclopropyl(methyl)amino]ethyl]benzene-1,2-diamine?
The InChIKey is UCNOLCFFYUGMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-15(10-6-7-10)9-8-14-12-5-3-2-4-11(12)13/h2-5,10,14H,6-9,13H2,1H3.
What are the key properties of 2-N-[2-[cyclopropyl(methyl)amino]ethyl]benzene-1,2-diamine?
2-N-[2-[cyclopropyl(methyl)amino]ethyl]benzene-1,2-diamine has a molecular weight of 205.31 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-[cyclopropyl(methyl)amino]ethyl]benzene-1,2-diamine is sourced from PubChem (CID 62975524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).