4-N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methylbenzene-1,4-diamine

C14H23N3 — CID 114132964

IUPAC4-N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methylbenzene-1,4-diamine
SMILESCCN(CCNc1ccc(N)c(C)c1)C1CC1
InChIInChI=1S/C14H23N3/c1-3-17(13-5-6-13)9-8-16-12-4-7-14(15)11(2)10-12/h4,7,10,13,16H,3,5-6,8-9,15H2,1-2H3
InChIKeyIQZAKTBFSNAXCB-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.47
Rot. Bonds6

About 4-N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methylbenzene-1,4-diamine

4-N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methylbenzene-1,4-diamine (PubChem CID 114132964) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 4-N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methylbenzene-1,4-diamine
PubChem CID114132964
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name4-N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methylbenzene-1,4-diamine
SMILESCCN(CCNc1ccc(N)c(C)c1)C1CC1
InChIInChI=1S/C14H23N3/c1-3-17(13-5-6-13)9-8-16-12-4-7-14(15)11(2)10-12/h4,7,10,13,16H,3,5-6,8-9,15H2,1-2H3
InChIKeyIQZAKTBFSNAXCB-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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Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methylbenzene-1,4-diamine?
The IUPAC name of 4-N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methylbenzene-1,4-diamine (CID 114132964) is 4-N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methylbenzene-1,4-diamine?
The canonical SMILES for 4-N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methylbenzene-1,4-diamine is CCN(CCNc1ccc(N)c(C)c1)C1CC1.
What is the InChIKey of 4-N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methylbenzene-1,4-diamine?
The InChIKey is IQZAKTBFSNAXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-3-17(13-5-6-13)9-8-16-12-4-7-14(15)11(2)10-12/h4,7,10,13,16H,3,5-6,8-9,15H2,1-2H3.
What are the key properties of 4-N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methylbenzene-1,4-diamine?
4-N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methylbenzene-1,4-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 4-N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methylbenzene-1,4-diamine is sourced from PubChem (CID 114132964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).