1-N-[2-[cyclopropyl(ethyl)amino]ethyl]-3-methylbenzene-1,2-diamine

C14H23N3 — CID 114132963

IUPAC1-N-[2-[cyclopropyl(ethyl)amino]ethyl]-3-methylbenzene-1,2-diamine
SMILESCCN(CCNc1cccc(C)c1N)C1CC1
InChIInChI=1S/C14H23N3/c1-3-17(12-7-8-12)10-9-16-13-6-4-5-11(2)14(13)15/h4-6,12,16H,3,7-10,15H2,1-2H3
InChIKeyRHTVNRNQMNWNQG-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.47
Rot. Bonds6

About 1-N-[2-[cyclopropyl(ethyl)amino]ethyl]-3-methylbenzene-1,2-diamine

1-N-[2-[cyclopropyl(ethyl)amino]ethyl]-3-methylbenzene-1,2-diamine (PubChem CID 114132963) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-N-[2-[cyclopropyl(ethyl)amino]ethyl]-3-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-[2-[cyclopropyl(ethyl)amino]ethyl]-3-methylbenzene-1,2-diamine
PubChem CID114132963
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name1-N-[2-[cyclopropyl(ethyl)amino]ethyl]-3-methylbenzene-1,2-diamine
SMILESCCN(CCNc1cccc(C)c1N)C1CC1
InChIInChI=1S/C14H23N3/c1-3-17(12-7-8-12)10-9-16-13-6-4-5-11(2)14(13)15/h4-6,12,16H,3,7-10,15H2,1-2H3
InChIKeyRHTVNRNQMNWNQG-UHFFFAOYSA-N
XLogP2.47
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.47
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

4-N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methylbenzene-1,4-diamine
CID 114132964
4,5-dichloro-2-N-[2-[cyclopropyl(ethyl)amino]ethyl]benzene-1,2-diamine
CID 114132957
N'-cyclopropyl-N'-ethyl-N-(2-methylquinolin-4-yl)ethane-1,2-diamine
CID 103739535
N-[2-(2-amino-3-methylanilino)ethyl]cyclopropanecarboxamide
CID 114041356
5-bromo-2-[2-[cyclopropyl(ethyl)amino]ethylamino]benzonitrile
CID 114132656
N-(3-amino-2-methylphenyl)-3-[cyclopropyl(ethyl)amino]propanamide
CID 43263763
3-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methylbenzene-1,3-diamine
CID 62977758
2-amino-N-[2-[cyclopropyl(ethyl)amino]ethyl]benzenesulfonamide
CID 104859212
2-N-[2-[cyclopropyl(methyl)amino]ethyl]benzene-1,2-diamine
CID 62975524
N'-cyclopropyl-N'-ethyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 103637921
N-(2,3-dimethylphenyl)-N',N'-diethylethane-1,2-diamine
CID 28585667
6-amino-N-[2-[cyclopropyl(ethyl)amino]ethyl]pyridine-2-carboxamide
CID 113304896

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-[cyclopropyl(ethyl)amino]ethyl]-3-methylbenzene-1,2-diamine?
The IUPAC name of 1-N-[2-[cyclopropyl(ethyl)amino]ethyl]-3-methylbenzene-1,2-diamine (CID 114132963) is 1-N-[2-[cyclopropyl(ethyl)amino]ethyl]-3-methylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-[2-[cyclopropyl(ethyl)amino]ethyl]-3-methylbenzene-1,2-diamine?
The canonical SMILES for 1-N-[2-[cyclopropyl(ethyl)amino]ethyl]-3-methylbenzene-1,2-diamine is CCN(CCNc1cccc(C)c1N)C1CC1.
What is the InChIKey of 1-N-[2-[cyclopropyl(ethyl)amino]ethyl]-3-methylbenzene-1,2-diamine?
The InChIKey is RHTVNRNQMNWNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-3-17(12-7-8-12)10-9-16-13-6-4-5-11(2)14(13)15/h4-6,12,16H,3,7-10,15H2,1-2H3.
What are the key properties of 1-N-[2-[cyclopropyl(ethyl)amino]ethyl]-3-methylbenzene-1,2-diamine?
1-N-[2-[cyclopropyl(ethyl)amino]ethyl]-3-methylbenzene-1,2-diamine has a molecular weight of 233.36 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-[cyclopropyl(ethyl)amino]ethyl]-3-methylbenzene-1,2-diamine is sourced from PubChem (CID 114132963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).