[4-[[1-(aminomethyl)cyclopentyl]methyl]-5-methylmorpholin-2-yl]methanol

C13H26N2O2 — CID 81213998

IUPAC[4-[[1-(aminomethyl)cyclopentyl]methyl]-5-methylmorpholin-2-yl]methanol
SMILESCC1COC(CO)CN1CC1(CN)CCCC1
InChIInChI=1S/C13H26N2O2/c1-11-8-17-12(7-16)6-15(11)10-13(9-14)4-2-3-5-13/h11-12,16H,2-10,14H2,1H3
InChIKeyZNWTWXUUZKVYHX-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.59
Rot. Bonds4

About [4-[[1-(aminomethyl)cyclopentyl]methyl]-5-methylmorpholin-2-yl]methanol

[4-[[1-(aminomethyl)cyclopentyl]methyl]-5-methylmorpholin-2-yl]methanol (PubChem CID 81213998) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is [4-[[1-(aminomethyl)cyclopentyl]methyl]-5-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[[1-(aminomethyl)cyclopentyl]methyl]-5-methylmorpholin-2-yl]methanol
PubChem CID81213998
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name[4-[[1-(aminomethyl)cyclopentyl]methyl]-5-methylmorpholin-2-yl]methanol
SMILESCC1COC(CO)CN1CC1(CN)CCCC1
InChIInChI=1S/C13H26N2O2/c1-11-8-17-12(7-16)6-15(11)10-13(9-14)4-2-3-5-13/h11-12,16H,2-10,14H2,1H3
InChIKeyZNWTWXUUZKVYHX-UHFFFAOYSA-N
XLogP0.59
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[[1-(aminomethyl)cyclopentyl]methyl]-5-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-[[1-(aminomethyl)cyclopentyl]methyl]-5-methylmorpholin-2-yl]methanol (CID 81213998) is [4-[[1-(aminomethyl)cyclopentyl]methyl]-5-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[[1-(aminomethyl)cyclopentyl]methyl]-5-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[[1-(aminomethyl)cyclopentyl]methyl]-5-methylmorpholin-2-yl]methanol is CC1COC(CO)CN1CC1(CN)CCCC1.
What is the InChIKey of [4-[[1-(aminomethyl)cyclopentyl]methyl]-5-methylmorpholin-2-yl]methanol?
The InChIKey is ZNWTWXUUZKVYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-11-8-17-12(7-16)6-15(11)10-13(9-14)4-2-3-5-13/h11-12,16H,2-10,14H2,1H3.
What are the key properties of [4-[[1-(aminomethyl)cyclopentyl]methyl]-5-methylmorpholin-2-yl]methanol?
[4-[[1-(aminomethyl)cyclopentyl]methyl]-5-methylmorpholin-2-yl]methanol has a molecular weight of 242.36 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[1-(aminomethyl)cyclopentyl]methyl]-5-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 81213998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).