N'-cyclopentyl-N-[1-(3-methoxyphenyl)ethyl]-N'-methylethane-1,2-diamine

C17H28N2O — CID 63314663

IUPACN'-cyclopentyl-N-[1-(3-methoxyphenyl)ethyl]-N'-methylethane-1,2-diamine
SMILESCOc1cccc(C(C)NCCN(C)C2CCCC2)c1
InChIInChI=1S/C17H28N2O/c1-14(15-7-6-10-17(13-15)20-3)18-11-12-19(2)16-8-4-5-9-16/h6-7,10,13-14,16,18H,4-5,8-9,11-12H2,1-3H3
InChIKeyQOBHKIHBNFBBDN-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.22
Rot. Bonds7

About N'-cyclopentyl-N-[1-(3-methoxyphenyl)ethyl]-N'-methylethane-1,2-diamine

N'-cyclopentyl-N-[1-(3-methoxyphenyl)ethyl]-N'-methylethane-1,2-diamine (PubChem CID 63314663) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N'-cyclopentyl-N-[1-(3-methoxyphenyl)ethyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-N-[1-(3-methoxyphenyl)ethyl]-N'-methylethane-1,2-diamine
PubChem CID63314663
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN'-cyclopentyl-N-[1-(3-methoxyphenyl)ethyl]-N'-methylethane-1,2-diamine
SMILESCOc1cccc(C(C)NCCN(C)C2CCCC2)c1
InChIInChI=1S/C17H28N2O/c1-14(15-7-6-10-17(13-15)20-3)18-11-12-19(2)16-8-4-5-9-16/h6-7,10,13-14,16,18H,4-5,8-9,11-12H2,1-3H3
InChIKeyQOBHKIHBNFBBDN-UHFFFAOYSA-N
XLogP3.22
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[cyclopentyl(methyl)amino]ethylamino]-1-(3-methoxyphenyl)ethanol
CID 81134315
(1R)-N-(cycloheptylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 81375787
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 63314672
N'-butan-2-yl-N-[1-(3-methoxyphenyl)ethyl]-N'-methylethane-1,2-diamine
CID 103729552
N'-(2-methoxyethyl)-N-[1-(3-methoxyphenyl)ethyl]-N'-methylethane-1,2-diamine
CID 55126860
3-cyclohexyloxy-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine
CID 43102546
N'-cyclopropyl-N'-methyl-N-(1-phenylethyl)ethane-1,2-diamine
CID 62975342
(1R)-1-(3-methoxyphenyl)-N-[2-(1-methylpiperidin-2-yl)ethyl]ethanamine
CID 81373836
N-[1-(3-methoxyphenyl)ethyl]-3-methylbutan-1-amine
CID 43193047
N-[1-(1,3-benzodioxol-5-yl)ethyl]-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 63314707
N'-cyclopentyl-N-[1-(4-ethylphenyl)ethyl]-N'-methylethane-1,2-diamine
CID 63314482
3-[1-(3-methoxyphenyl)ethylamino]-N,N-dimethylpropanamide
CID 54934760

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N-[1-(3-methoxyphenyl)ethyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N'-cyclopentyl-N-[1-(3-methoxyphenyl)ethyl]-N'-methylethane-1,2-diamine (CID 63314663) is N'-cyclopentyl-N-[1-(3-methoxyphenyl)ethyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-cyclopentyl-N-[1-(3-methoxyphenyl)ethyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-cyclopentyl-N-[1-(3-methoxyphenyl)ethyl]-N'-methylethane-1,2-diamine is COc1cccc(C(C)NCCN(C)C2CCCC2)c1.
What is the InChIKey of N'-cyclopentyl-N-[1-(3-methoxyphenyl)ethyl]-N'-methylethane-1,2-diamine?
The InChIKey is QOBHKIHBNFBBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-14(15-7-6-10-17(13-15)20-3)18-11-12-19(2)16-8-4-5-9-16/h6-7,10,13-14,16,18H,4-5,8-9,11-12H2,1-3H3.
What are the key properties of N'-cyclopentyl-N-[1-(3-methoxyphenyl)ethyl]-N'-methylethane-1,2-diamine?
N'-cyclopentyl-N-[1-(3-methoxyphenyl)ethyl]-N'-methylethane-1,2-diamine has a molecular weight of 276.42 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N-[1-(3-methoxyphenyl)ethyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 63314663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).