2-N-(3-cyclopentylpropyl)-4,5-dimethoxybenzene-1,2-diamine

C16H26N2O2 — CID 106007224

IUPAC2-N-(3-cyclopentylpropyl)-4,5-dimethoxybenzene-1,2-diamine
SMILESCOc1cc(N)c(NCCCC2CCCC2)cc1OC
InChIInChI=1S/C16H26N2O2/c1-19-15-10-13(17)14(11-16(15)20-2)18-9-5-8-12-6-3-4-7-12/h10-12,18H,3-9,17H2,1-2H3
InChIKeyCUHWEQYXLDKIIG-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.67
Rot. Bonds7

About 2-N-(3-cyclopentylpropyl)-4,5-dimethoxybenzene-1,2-diamine

2-N-(3-cyclopentylpropyl)-4,5-dimethoxybenzene-1,2-diamine (PubChem CID 106007224) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-N-(3-cyclopentylpropyl)-4,5-dimethoxybenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(3-cyclopentylpropyl)-4,5-dimethoxybenzene-1,2-diamine
PubChem CID106007224
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-N-(3-cyclopentylpropyl)-4,5-dimethoxybenzene-1,2-diamine
SMILESCOc1cc(N)c(NCCCC2CCCC2)cc1OC
InChIInChI=1S/C16H26N2O2/c1-19-15-10-13(17)14(11-16(15)20-2)18-9-5-8-12-6-3-4-7-12/h10-12,18H,3-9,17H2,1-2H3
InChIKeyCUHWEQYXLDKIIG-UHFFFAOYSA-N
XLogP3.67
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-N-(cyclobutylmethyl)-4,5-dimethoxybenzene-1,2-diamine
CID 83001680
3-[(2-amino-4,5-dimethoxyanilino)methyl]cyclohexan-1-ol
CID 106120053
2-N-(2-cyclobutylethyl)-4,5-dimethylbenzene-1,2-diamine
CID 115126836
5-N-(3-cyclopentylpropyl)-2-methyl-1,3-benzothiazole-5,6-diamine
CID 106007114
2-N-(2-cyclopentylethyl)-4-ethoxy-5-fluorobenzene-1,2-diamine
CID 63592338
N-(3-cyclopentylpropyl)-3-methoxy-2-nitroaniline
CID 106012968
4-amino-3-(3-cyclopentylpropylamino)-N,N-dimethylbenzamide
CID 106007203
methyl 3-(2-amino-4,5-dimethoxyanilino)propanoate
CID 83001699
1-N-(3-cyclopentylpropyl)-3,5-difluorobenzene-1,2-diamine
CID 114136547
N-(3-cyclopentylpropyl)-3-methoxypyridin-2-amine
CID 114137239
2-N-(3-cyclopentylpropyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
CID 106007172
2,5-dimethoxy-1-N-propylbenzene-1,4-diamine
CID 610932

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-cyclopentylpropyl)-4,5-dimethoxybenzene-1,2-diamine?
The IUPAC name of 2-N-(3-cyclopentylpropyl)-4,5-dimethoxybenzene-1,2-diamine (CID 106007224) is 2-N-(3-cyclopentylpropyl)-4,5-dimethoxybenzene-1,2-diamine.
What is the SMILES notation for 2-N-(3-cyclopentylpropyl)-4,5-dimethoxybenzene-1,2-diamine?
The canonical SMILES for 2-N-(3-cyclopentylpropyl)-4,5-dimethoxybenzene-1,2-diamine is COc1cc(N)c(NCCCC2CCCC2)cc1OC.
What is the InChIKey of 2-N-(3-cyclopentylpropyl)-4,5-dimethoxybenzene-1,2-diamine?
The InChIKey is CUHWEQYXLDKIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-19-15-10-13(17)14(11-16(15)20-2)18-9-5-8-12-6-3-4-7-12/h10-12,18H,3-9,17H2,1-2H3.
What are the key properties of 2-N-(3-cyclopentylpropyl)-4,5-dimethoxybenzene-1,2-diamine?
2-N-(3-cyclopentylpropyl)-4,5-dimethoxybenzene-1,2-diamine has a molecular weight of 278.40 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-cyclopentylpropyl)-4,5-dimethoxybenzene-1,2-diamine is sourced from PubChem (CID 106007224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).