N'-cyclopentyl-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine

C16H26N2O — CID 43177820

IUPACN'-cyclopentyl-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
SMILESCOc1cccc(C(CNC2CCCC2)N(C)C)c1
InChIInChI=1S/C16H26N2O/c1-18(2)16(12-17-14-8-4-5-9-14)13-7-6-10-15(11-13)19-3/h6-7,10-11,14,16-17H,4-5,8-9,12H2,1-3H3
InChIKeyIZWRLNATXAVWQV-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.83
Rot. Bonds6

About N'-cyclopentyl-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine

N'-cyclopentyl-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine (PubChem CID 43177820) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N'-cyclopentyl-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
PubChem CID43177820
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN'-cyclopentyl-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
SMILESCOc1cccc(C(CNC2CCCC2)N(C)C)c1
InChIInChI=1S/C16H26N2O/c1-18(2)16(12-17-14-8-4-5-9-14)13-7-6-10-15(11-13)19-3/h6-7,10-11,14,16-17H,4-5,8-9,12H2,1-3H3
InChIKeyIZWRLNATXAVWQV-UHFFFAOYSA-N
XLogP2.83
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyphenyl)-N,N-dimethyl-N'-(thian-4-yl)ethane-1,2-diamine
CID 43394909
2-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]cyclohexan-1-ol
CID 60714933
N'-(2-ethylcyclopentyl)-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 115704698
N'-(cyclobutylmethyl)-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 65458499
N-[2-cyclohexyl-2-(3-methoxyphenyl)ethyl]cyclopropanamine
CID 82937261
1-(3-methoxyphenyl)-N,N-dimethyl-N'-(piperidin-2-ylmethyl)ethane-1,2-diamine
CID 106632816
2-cyclopentyl-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide
CID 51186688
N'-ethyl-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 43177837
N-[2-(3-methoxyphenyl)-3-methylbutyl]cyclopropanamine
CID 66244884
1-(1-cyclopentyl-2,2,2-trifluoroethyl)-3-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]urea
CID 75457805
1-cyclopentyl-2-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-ethylguanidine
CID 110991683
N'-(2,2-dimethoxyethyl)-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 63686447

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine?
The IUPAC name of N'-cyclopentyl-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine (CID 43177820) is N'-cyclopentyl-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-cyclopentyl-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for N'-cyclopentyl-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine is COc1cccc(C(CNC2CCCC2)N(C)C)c1.
What is the InChIKey of N'-cyclopentyl-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine?
The InChIKey is IZWRLNATXAVWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-18(2)16(12-17-14-8-4-5-9-14)13-7-6-10-15(11-13)19-3/h6-7,10-11,14,16-17H,4-5,8-9,12H2,1-3H3.
What are the key properties of N'-cyclopentyl-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine?
N'-cyclopentyl-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine has a molecular weight of 262.40 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 43177820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).