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

C15H25N3 — CID 63314722

IUPAC4-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylbenzene-1,4-diamine
SMILESCc1cc(NCCN(C)C2CCCC2)ccc1N
InChIInChI=1S/C15H25N3/c1-12-11-13(7-8-15(12)16)17-9-10-18(2)14-5-3-4-6-14/h7-8,11,14,17H,3-6,9-10,16H2,1-2H3
InChIKeyJLOJPALXANOJLK-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.86
Rot. Bonds5

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

4-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylbenzene-1,4-diamine (PubChem CID 63314722) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 4-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylbenzene-1,4-diamine
PubChem CID63314722
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name4-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylbenzene-1,4-diamine
SMILESCc1cc(NCCN(C)C2CCCC2)ccc1N
InChIInChI=1S/C15H25N3/c1-12-11-13(7-8-15(12)16)17-9-10-18(2)14-5-3-4-6-14/h7-8,11,14,17H,3-6,9-10,16H2,1-2H3
InChIKeyJLOJPALXANOJLK-UHFFFAOYSA-N
XLogP2.86
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.86
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-[cyclopentyl(methyl)amino]ethyl]-2-methoxybenzene-1,4-diamine
CID 63675933
2-[2-amino-5-[2-[cyclopentyl(methyl)amino]ethylamino]phenyl]acetonitrile
CID 102624332
4-N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methylbenzene-1,4-diamine
CID 114132964
5-N-[2-[cyclopentyl(methyl)amino]ethyl]pyridine-3,5-diamine
CID 104534598
N'-cyclopentyl-N'-methyl-N-(2-methyl-4-pyridinyl)ethane-1,2-diamine
CID 113482625
4-N-(2-cyclopentyloxyethyl)-2-methylbenzene-1,4-diamine
CID 63826013
1-N-[2-[cyclopentyl(methyl)amino]ethyl]-2,6-difluorobenzene-1,4-diamine
CID 55203728
3-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylbenzene-1,3-diamine
CID 63314499
4-N-[3-(4-amino-3-methylanilino)propyl]-2-methylbenzene-1,4-diamine
CID 58611253
N-(5-bromo-3-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 113423561
2-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-fluorobenzene-1,2-diamine
CID 62974996
4-N-[2-[2-(4-amino-3-methylanilino)ethylamino]ethyl]-2-methylbenzene-1,4-diamine
CID 69450838

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylbenzene-1,4-diamine?
The IUPAC name of 4-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylbenzene-1,4-diamine (CID 63314722) is 4-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylbenzene-1,4-diamine?
The canonical SMILES for 4-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylbenzene-1,4-diamine is Cc1cc(NCCN(C)C2CCCC2)ccc1N.
What is the InChIKey of 4-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylbenzene-1,4-diamine?
The InChIKey is JLOJPALXANOJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-12-11-13(7-8-15(12)16)17-9-10-18(2)14-5-3-4-6-14/h7-8,11,14,17H,3-6,9-10,16H2,1-2H3.
What are the key properties of 4-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylbenzene-1,4-diamine?
4-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylbenzene-1,4-diamine has a molecular weight of 247.39 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylbenzene-1,4-diamine is sourced from PubChem (CID 63314722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).