N-(cyclopentylmethyl)-1-(3-ethoxyphenyl)-N-methylethane-1,2-diamine

C17H28N2O — CID 63632101

IUPACN-(cyclopentylmethyl)-1-(3-ethoxyphenyl)-N-methylethane-1,2-diamine
SMILESCCOc1cccc(C(CN)N(C)CC2CCCC2)c1
InChIInChI=1S/C17H28N2O/c1-3-20-16-10-6-9-15(11-16)17(12-18)19(2)13-14-7-4-5-8-14/h6,9-11,14,17H,3-5,7-8,12-13,18H2,1-2H3
InChIKeyCMMAJYRJWGXMCN-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.21
Rot. Bonds7

About N-(cyclopentylmethyl)-1-(3-ethoxyphenyl)-N-methylethane-1,2-diamine

N-(cyclopentylmethyl)-1-(3-ethoxyphenyl)-N-methylethane-1,2-diamine (PubChem CID 63632101) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-1-(3-ethoxyphenyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-1-(3-ethoxyphenyl)-N-methylethane-1,2-diamine
PubChem CID63632101
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-(cyclopentylmethyl)-1-(3-ethoxyphenyl)-N-methylethane-1,2-diamine
SMILESCCOc1cccc(C(CN)N(C)CC2CCCC2)c1
InChIInChI=1S/C17H28N2O/c1-3-20-16-10-6-9-15(11-16)17(12-18)19(2)13-14-7-4-5-8-14/h6,9-11,14,17H,3-5,7-8,12-13,18H2,1-2H3
InChIKeyCMMAJYRJWGXMCN-UHFFFAOYSA-N
XLogP3.21
TPSA38.49 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 ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethoxyphenyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
CID 79303043
1-(3-bromophenyl)-N-(cyclohexylmethyl)-N-methylethane-1,2-diamine
CID 61444453
N-(cyclobutylmethyl)-N-methyl-1-(3-methylphenyl)ethane-1,2-diamine
CID 55210490
2-cyclopentyl-2-(3-ethoxyphenyl)ethanamine
CID 83973259
2-cycloheptyl-1-(3-ethoxyphenyl)ethanamine
CID 105022380
N-cyclohexyl-1-(3-ethoxyphenyl)ethane-1,2-diamine
CID 65383474
N-(cyclopentylmethyl)-N-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 63631217
1-(3-ethoxyphenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 60871994
N-(cyclopentylmethyl)-N-methyl-1-pyridin-4-ylethane-1,2-diamine
CID 63633114
1-(3-bromo-4-methoxyphenyl)-N-(cyclopentylmethyl)-N-methylethane-1,2-diamine
CID 63631391
N-(cyclobutylmethyl)-1-(3,4-dibromophenyl)-N-methylethane-1,2-diamine
CID 114077367
[cyclopentyl-(3-ethoxyphenyl)methyl]hydrazine
CID 105191906

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-1-(3-ethoxyphenyl)-N-methylethane-1,2-diamine?
The IUPAC name of N-(cyclopentylmethyl)-1-(3-ethoxyphenyl)-N-methylethane-1,2-diamine (CID 63632101) is N-(cyclopentylmethyl)-1-(3-ethoxyphenyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for N-(cyclopentylmethyl)-1-(3-ethoxyphenyl)-N-methylethane-1,2-diamine?
The canonical SMILES for N-(cyclopentylmethyl)-1-(3-ethoxyphenyl)-N-methylethane-1,2-diamine is CCOc1cccc(C(CN)N(C)CC2CCCC2)c1.
What is the InChIKey of N-(cyclopentylmethyl)-1-(3-ethoxyphenyl)-N-methylethane-1,2-diamine?
The InChIKey is CMMAJYRJWGXMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-20-16-10-6-9-15(11-16)17(12-18)19(2)13-14-7-4-5-8-14/h6,9-11,14,17H,3-5,7-8,12-13,18H2,1-2H3.
What are the key properties of N-(cyclopentylmethyl)-1-(3-ethoxyphenyl)-N-methylethane-1,2-diamine?
N-(cyclopentylmethyl)-1-(3-ethoxyphenyl)-N-methylethane-1,2-diamine has a molecular weight of 276.42 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-1-(3-ethoxyphenyl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 63632101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).