4-N-(3,3-dimethylcyclopentyl)-2-propoxybenzene-1,4-diamine

C16H26N2O — CID 114543414

IUPAC4-N-(3,3-dimethylcyclopentyl)-2-propoxybenzene-1,4-diamine
SMILESCCCOc1cc(NC2CCC(C)(C)C2)ccc1N
InChIInChI=1S/C16H26N2O/c1-4-9-19-15-10-12(5-6-14(15)17)18-13-7-8-16(2,3)11-13/h5-6,10,13,18H,4,7-9,11,17H2,1-3H3
InChIKeyJMCZBMWLZGJKDC-UHFFFAOYSA-N
MW262.40 g/mol
LogP4.05
Rot. Bonds5

About 4-N-(3,3-dimethylcyclopentyl)-2-propoxybenzene-1,4-diamine

4-N-(3,3-dimethylcyclopentyl)-2-propoxybenzene-1,4-diamine (PubChem CID 114543414) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-N-(3,3-dimethylcyclopentyl)-2-propoxybenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(3,3-dimethylcyclopentyl)-2-propoxybenzene-1,4-diamine
PubChem CID114543414
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name4-N-(3,3-dimethylcyclopentyl)-2-propoxybenzene-1,4-diamine
SMILESCCCOc1cc(NC2CCC(C)(C)C2)ccc1N
InChIInChI=1S/C16H26N2O/c1-4-9-19-15-10-12(5-6-14(15)17)18-13-7-8-16(2,3)11-13/h5-6,10,13,18H,4,7-9,11,17H2,1-3H3
InChIKeyJMCZBMWLZGJKDC-UHFFFAOYSA-N
XLogP4.05
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 54.05
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

2-Methoxy-4-morpholinoaniline hydrochloride
CID 21144261
N'-(3-(Cyclohexylmethoxy)Phenyl)Ethane-1,2-Diamine
CID 25256206
4-(2,2-Dimethylmorpholin-4-yl)-2-ethoxyaniline
CID 63669826
2-Methoxy-4-(pyrrolidin-1-yl)aniline
CID 56777226
1-(4-amino-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine
CID 57416153
2-Ethoxy-4-(4-methylpiperazin-1-yl)aniline
CID 59291170
2-Methoxy-4-morpholinoaniline
CID 414960
4-Diethylamino-2-ethoxybenzenediazonium zinc chloride
CID 169330
Benzenediazonium, 4-(diethylamino)-2-ethoxy-, trichlorozincate(1-)
CID 73555200
Dichlorozinc;4-(diethylamino)-2-ethoxybenzenediazonium;chloride
CID 73555716
2,5-dimethoxy-N-[(2-prop-2-enoxyphenyl)methyl]aniline
CID 2245154
Benzenamine, 3-methoxy-4-(1-pyrrolidinyl)-
CID 85276

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,3-dimethylcyclopentyl)-2-propoxybenzene-1,4-diamine?
The IUPAC name of 4-N-(3,3-dimethylcyclopentyl)-2-propoxybenzene-1,4-diamine (CID 114543414) is 4-N-(3,3-dimethylcyclopentyl)-2-propoxybenzene-1,4-diamine.
What is the SMILES notation for 4-N-(3,3-dimethylcyclopentyl)-2-propoxybenzene-1,4-diamine?
The canonical SMILES for 4-N-(3,3-dimethylcyclopentyl)-2-propoxybenzene-1,4-diamine is CCCOc1cc(NC2CCC(C)(C)C2)ccc1N.
What is the InChIKey of 4-N-(3,3-dimethylcyclopentyl)-2-propoxybenzene-1,4-diamine?
The InChIKey is JMCZBMWLZGJKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-9-19-15-10-12(5-6-14(15)17)18-13-7-8-16(2,3)11-13/h5-6,10,13,18H,4,7-9,11,17H2,1-3H3.
What are the key properties of 4-N-(3,3-dimethylcyclopentyl)-2-propoxybenzene-1,4-diamine?
4-N-(3,3-dimethylcyclopentyl)-2-propoxybenzene-1,4-diamine has a molecular weight of 262.40 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,3-dimethylcyclopentyl)-2-propoxybenzene-1,4-diamine is sourced from PubChem (CID 114543414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).