N-[(4-cyclopentyloxyphenyl)methyl]-N',N'-dimethylethane-1,2-diamine

C16H26N2O — CID 2217277

IUPACN-[(4-cyclopentyloxyphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNCc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C16H26N2O/c1-18(2)12-11-17-13-14-7-9-16(10-8-14)19-15-5-3-4-6-15/h7-10,15,17H,3-6,11-13H2,1-2H3
InChIKeyDEDZAVJWWNCUOV-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.66
Rot. Bonds7

About N-[(4-cyclopentyloxyphenyl)methyl]-N',N'-dimethylethane-1,2-diamine

N-[(4-cyclopentyloxyphenyl)methyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 2217277) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[(4-cyclopentyloxyphenyl)methyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(4-cyclopentyloxyphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
PubChem CID2217277
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[(4-cyclopentyloxyphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNCc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C16H26N2O/c1-18(2)12-11-17-13-14-7-9-16(10-8-14)19-15-5-3-4-6-15/h7-10,15,17H,3-6,11-13H2,1-2H3
InChIKeyDEDZAVJWWNCUOV-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopentyloxyphenyl)methyl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[(4-cyclopentyloxyphenyl)methyl]-N',N'-dimethylethane-1,2-diamine (CID 2217277) is N-[(4-cyclopentyloxyphenyl)methyl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[(4-cyclopentyloxyphenyl)methyl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[(4-cyclopentyloxyphenyl)methyl]-N',N'-dimethylethane-1,2-diamine is CN(C)CCNCc1ccc(OC2CCCC2)cc1.
What is the InChIKey of N-[(4-cyclopentyloxyphenyl)methyl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is DEDZAVJWWNCUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-18(2)12-11-17-13-14-7-9-16(10-8-14)19-15-5-3-4-6-15/h7-10,15,17H,3-6,11-13H2,1-2H3.
What are the key properties of N-[(4-cyclopentyloxyphenyl)methyl]-N',N'-dimethylethane-1,2-diamine?
N-[(4-cyclopentyloxyphenyl)methyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 262.40 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclopentyloxyphenyl)methyl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 2217277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).