[2-[2-(4-methylpiperazin-1-yl)ethoxymethyl]cyclopentyl]methanamine

C14H29N3O — CID 82892394

IUPAC[2-[2-(4-methylpiperazin-1-yl)ethoxymethyl]cyclopentyl]methanamine
SMILESCN1CCN(CCOCC2CCCC2CN)CC1
InChIInChI=1S/C14H29N3O/c1-16-5-7-17(8-6-16)9-10-18-12-14-4-2-3-13(14)11-15/h13-14H,2-12,15H2,1H3
InChIKeyJKERVHQNBRXXII-UHFFFAOYSA-N
MW255.41 g/mol
LogP0.63
Rot. Bonds6

About [2-[2-(4-methylpiperazin-1-yl)ethoxymethyl]cyclopentyl]methanamine

[2-[2-(4-methylpiperazin-1-yl)ethoxymethyl]cyclopentyl]methanamine (PubChem CID 82892394) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is [2-[2-(4-methylpiperazin-1-yl)ethoxymethyl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[2-[2-(4-methylpiperazin-1-yl)ethoxymethyl]cyclopentyl]methanamine
PubChem CID82892394
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name[2-[2-(4-methylpiperazin-1-yl)ethoxymethyl]cyclopentyl]methanamine
SMILESCN1CCN(CCOCC2CCCC2CN)CC1
InChIInChI=1S/C14H29N3O/c1-16-5-7-17(8-6-16)9-10-18-12-14-4-2-3-13(14)11-15/h13-14H,2-12,15H2,1H3
InChIKeyJKERVHQNBRXXII-UHFFFAOYSA-N
XLogP0.63
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[[2-(aminomethyl)cyclopentyl]methoxy]ethyl]imidazolidin-2-one
CID 106938474
[2-(2-imidazol-1-ylethoxymethyl)cyclopentyl]methanamine
CID 106938475
[2-(3-fluoropropoxymethyl)cyclohexyl]methanamine
CID 81113388
methyl 3-[[2-(aminomethyl)cyclohexyl]methoxy]propanoate
CID 106940266
[2-[2-(1-methylimidazol-2-yl)ethoxymethyl]cyclopentyl]methanamine
CID 114528585
[2-[(4-methylmorpholin-2-yl)methoxymethyl]cyclohexyl]methanamine
CID 79182689
2-[2-[[2-(aminomethyl)cyclohexyl]methoxy]ethoxy]ethanol
CID 106938444
2-[2-(4-methylpiperazin-1-yl)ethoxy]acetamide
CID 142386012
1-[2-(2-iodoethoxy)ethyl]-4-methylpiperazine
CID 122495026
4-[2-(4-methylpiperazin-1-yl)ethoxy]butan-1-olate
CID 142385933
[2-(4-methyl-1,4-diazepan-1-yl)cyclopentyl]methanamine
CID 43293580
ethane;O-[2-(4-methylpiperazin-1-yl)ethyl]hydroxylamine
CID 142390319

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-methylpiperazin-1-yl)ethoxymethyl]cyclopentyl]methanamine?
The IUPAC name of [2-[2-(4-methylpiperazin-1-yl)ethoxymethyl]cyclopentyl]methanamine (CID 82892394) is [2-[2-(4-methylpiperazin-1-yl)ethoxymethyl]cyclopentyl]methanamine.
What is the SMILES notation for [2-[2-(4-methylpiperazin-1-yl)ethoxymethyl]cyclopentyl]methanamine?
The canonical SMILES for [2-[2-(4-methylpiperazin-1-yl)ethoxymethyl]cyclopentyl]methanamine is CN1CCN(CCOCC2CCCC2CN)CC1.
What is the InChIKey of [2-[2-(4-methylpiperazin-1-yl)ethoxymethyl]cyclopentyl]methanamine?
The InChIKey is JKERVHQNBRXXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-16-5-7-17(8-6-16)9-10-18-12-14-4-2-3-13(14)11-15/h13-14H,2-12,15H2,1H3.
What are the key properties of [2-[2-(4-methylpiperazin-1-yl)ethoxymethyl]cyclopentyl]methanamine?
[2-[2-(4-methylpiperazin-1-yl)ethoxymethyl]cyclopentyl]methanamine has a molecular weight of 255.41 g/mol, XLogP of 0.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-methylpiperazin-1-yl)ethoxymethyl]cyclopentyl]methanamine is sourced from PubChem (CID 82892394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).