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

C15H25N3O — CID 63675933

IUPAC4-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methoxybenzene-1,4-diamine
SMILESCOc1cc(NCCN(C)C2CCCC2)ccc1N
InChIInChI=1S/C15H25N3O/c1-18(13-5-3-4-6-13)10-9-17-12-7-8-14(16)15(11-12)19-2/h7-8,11,13,17H,3-6,9-10,16H2,1-2H3
InChIKeyITKOMQFOVIOTDO-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.56
Rot. Bonds6

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

4-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methoxybenzene-1,4-diamine (PubChem CID 63675933) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methoxybenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methoxybenzene-1,4-diamine
PubChem CID63675933
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name4-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methoxybenzene-1,4-diamine
SMILESCOc1cc(NCCN(C)C2CCCC2)ccc1N
InChIInChI=1S/C15H25N3O/c1-18(13-5-3-4-6-13)10-9-17-12-7-8-14(16)15(11-12)19-2/h7-8,11,13,17H,3-6,9-10,16H2,1-2H3
InChIKeyITKOMQFOVIOTDO-UHFFFAOYSA-N
XLogP2.56
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-methylbenzene-1,4-diamine
CID 63314722
2-[2-amino-5-[2-[cyclopentyl(methyl)amino]ethylamino]phenyl]acetonitrile
CID 102624332
1-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107259201
2-methoxy-4-N-[3-[methyl(propan-2-yl)amino]propyl]benzene-1,4-diamine
CID 106036754
2-[(4-amino-3-methoxyanilino)methyl]cyclohexan-1-ol
CID 64928032
5-N-[2-[cyclopentyl(methyl)amino]ethyl]pyridine-3,5-diamine
CID 104534598
4-N-cyclooctyl-2-methoxybenzene-1,4-diamine
CID 63672291
1-N-[2-[cyclopentyl(methyl)amino]ethyl]-2,6-difluorobenzene-1,4-diamine
CID 55203728
N'-cyclopentyl-N'-methyl-N-(2-methyl-4-pyridinyl)ethane-1,2-diamine
CID 113482625
5-(4-amino-3-methoxyanilino)pentan-1-ol
CID 107316403
2-[3-(4-amino-3-methoxyanilino)propoxy]ethanol
CID 106308975
N'-cyclopentyl-N'-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]ethane-1,2-diamine
CID 119127207

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methoxybenzene-1,4-diamine?
The IUPAC name of 4-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methoxybenzene-1,4-diamine (CID 63675933) is 4-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methoxybenzene-1,4-diamine.
What is the SMILES notation for 4-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methoxybenzene-1,4-diamine?
The canonical SMILES for 4-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methoxybenzene-1,4-diamine is COc1cc(NCCN(C)C2CCCC2)ccc1N.
What is the InChIKey of 4-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methoxybenzene-1,4-diamine?
The InChIKey is ITKOMQFOVIOTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-18(13-5-3-4-6-13)10-9-17-12-7-8-14(16)15(11-12)19-2/h7-8,11,13,17H,3-6,9-10,16H2,1-2H3.
What are the key properties of 4-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methoxybenzene-1,4-diamine?
4-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methoxybenzene-1,4-diamine has a molecular weight of 263.38 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methoxybenzene-1,4-diamine is sourced from PubChem (CID 63675933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).