N-[[2-(3-aminoprop-1-ynyl)-5-methoxyphenyl]methyl]-N-ethylcyclopentanamine

C18H26N2O — CID 65325687

IUPACN-[[2-(3-aminoprop-1-ynyl)-5-methoxyphenyl]methyl]-N-ethylcyclopentanamine
SMILESCCN(Cc1cc(OC)ccc1C#CCN)C1CCCC1
InChIInChI=1S/C18H26N2O/c1-3-20(17-8-4-5-9-17)14-16-13-18(21-2)11-10-15(16)7-6-12-19/h10-11,13,17H,3-5,8-9,12,14,19H2,1-2H3
InChIKeyPOLXCZKFPDDVQU-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.77
Rot. Bonds5

About N-[[2-(3-aminoprop-1-ynyl)-5-methoxyphenyl]methyl]-N-ethylcyclopentanamine

N-[[2-(3-aminoprop-1-ynyl)-5-methoxyphenyl]methyl]-N-ethylcyclopentanamine (PubChem CID 65325687) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[[2-(3-aminoprop-1-ynyl)-5-methoxyphenyl]methyl]-N-ethylcyclopentanamine.

Molecular Properties

Compound NameN-[[2-(3-aminoprop-1-ynyl)-5-methoxyphenyl]methyl]-N-ethylcyclopentanamine
PubChem CID65325687
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-[[2-(3-aminoprop-1-ynyl)-5-methoxyphenyl]methyl]-N-ethylcyclopentanamine
SMILESCCN(Cc1cc(OC)ccc1C#CCN)C1CCCC1
InChIInChI=1S/C18H26N2O/c1-3-20(17-8-4-5-9-17)14-16-13-18(21-2)11-10-15(16)7-6-12-19/h10-11,13,17H,3-5,8-9,12,14,19H2,1-2H3
InChIKeyPOLXCZKFPDDVQU-UHFFFAOYSA-N
XLogP2.77
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[[cyclopropylmethyl(ethyl)amino]methyl]-4-methoxyphenyl]prop-2-yn-1-amine
CID 65325221
3-[2-(cyclohexylsulfanylmethyl)-4-methoxyphenyl]prop-2-yn-1-amine
CID 65325530
N-[[2-(3-aminoprop-1-ynyl)-5-methoxyphenyl]methyl]-N,4-dimethylpentan-2-amine
CID 65325215
3-[2-[[cyclopropyl(2-methylpropyl)amino]methyl]-4-methoxyphenyl]prop-2-yn-1-ol
CID 65323953
2-[[(4-aminocyclohexyl)-ethylamino]methyl]-4-methoxyphenol
CID 79115140
N-ethyl-N-[(4-methoxyphenyl)methyl]cyclohexanamine
CID 112818440
3-[2-[(3,4-dimethylpyrrolidin-1-yl)methyl]-4-methoxyphenyl]prop-2-yn-1-amine
CID 79183515
3-[4-methoxy-2-[(3-methylpyrrolidin-1-yl)methyl]phenyl]prop-2-yn-1-amine
CID 65325305
3-[[cyclopentyl(ethyl)amino]methyl]-5-methoxyaniline
CID 81149127
3-[4-methoxy-2-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]prop-2-yn-1-amine
CID 103537537
3-[2-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]prop-2-yn-1-amine
CID 65325186
3-[4-methoxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]phenyl]prop-2-yn-1-amine
CID 115942439

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-aminoprop-1-ynyl)-5-methoxyphenyl]methyl]-N-ethylcyclopentanamine?
The IUPAC name of N-[[2-(3-aminoprop-1-ynyl)-5-methoxyphenyl]methyl]-N-ethylcyclopentanamine (CID 65325687) is N-[[2-(3-aminoprop-1-ynyl)-5-methoxyphenyl]methyl]-N-ethylcyclopentanamine.
What is the SMILES notation for N-[[2-(3-aminoprop-1-ynyl)-5-methoxyphenyl]methyl]-N-ethylcyclopentanamine?
The canonical SMILES for N-[[2-(3-aminoprop-1-ynyl)-5-methoxyphenyl]methyl]-N-ethylcyclopentanamine is CCN(Cc1cc(OC)ccc1C#CCN)C1CCCC1.
What is the InChIKey of N-[[2-(3-aminoprop-1-ynyl)-5-methoxyphenyl]methyl]-N-ethylcyclopentanamine?
The InChIKey is POLXCZKFPDDVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-3-20(17-8-4-5-9-17)14-16-13-18(21-2)11-10-15(16)7-6-12-19/h10-11,13,17H,3-5,8-9,12,14,19H2,1-2H3.
What are the key properties of N-[[2-(3-aminoprop-1-ynyl)-5-methoxyphenyl]methyl]-N-ethylcyclopentanamine?
N-[[2-(3-aminoprop-1-ynyl)-5-methoxyphenyl]methyl]-N-ethylcyclopentanamine has a molecular weight of 286.42 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-aminoprop-1-ynyl)-5-methoxyphenyl]methyl]-N-ethylcyclopentanamine is sourced from PubChem (CID 65325687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).