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

C16H26N2O — CID 65458499

IUPACN'-(cyclobutylmethyl)-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
SMILESCOc1cccc(C(CNCC2CCC2)N(C)C)c1
InChIInChI=1S/C16H26N2O/c1-18(2)16(12-17-11-13-6-4-7-13)14-8-5-9-15(10-14)19-3/h5,8-10,13,16-17H,4,6-7,11-12H2,1-3H3
InChIKeyGBKRPLXYXBAVEZ-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.69
Rot. Bonds7

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

N'-(cyclobutylmethyl)-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine (PubChem CID 65458499) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N'-(cyclobutylmethyl)-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(cyclobutylmethyl)-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
PubChem CID65458499
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN'-(cyclobutylmethyl)-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
SMILESCOc1cccc(C(CNCC2CCC2)N(C)C)c1
InChIInChI=1S/C16H26N2O/c1-18(2)16(12-17-11-13-6-4-7-13)14-8-5-9-15(10-14)19-3/h5,8-10,13,16-17H,4,6-7,11-12H2,1-3H3
InChIKeyGBKRPLXYXBAVEZ-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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'-cyclopentyl-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 43177820
2-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]cyclohexan-1-ol
CID 60714933
N'-(2,2-dimethoxyethyl)-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 63686447
2-[[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-N-propan-2-ylacetamide
CID 28596145
N'-(2-ethylcyclopentyl)-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 115704698
1-(3-methoxyphenyl)-N,N-dimethyl-N'-(3-methylbut-2-enyl)ethane-1,2-diamine
CID 103605370
1-(3-methoxyphenyl)-N,N-dimethyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 103605338
methyl 3-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-2-methylpropanoate
CID 43398367
methyl 3-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]propanoate
CID 43093101

Frequently Asked Questions

What is the IUPAC name of N'-(cyclobutylmethyl)-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine?
The IUPAC name of N'-(cyclobutylmethyl)-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine (CID 65458499) is N'-(cyclobutylmethyl)-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-(cyclobutylmethyl)-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for N'-(cyclobutylmethyl)-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine is COc1cccc(C(CNCC2CCC2)N(C)C)c1.
What is the InChIKey of N'-(cyclobutylmethyl)-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine?
The InChIKey is GBKRPLXYXBAVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-18(2)16(12-17-11-13-6-4-7-13)14-8-5-9-15(10-14)19-3/h5,8-10,13,16-17H,4,6-7,11-12H2,1-3H3.
What are the key properties of N'-(cyclobutylmethyl)-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine?
N'-(cyclobutylmethyl)-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine has a molecular weight of 262.40 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclobutylmethyl)-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 65458499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).