[1-amino-2-[2-[methyl(oxan-4-ylmethyl)amino]ethyl]cyclopentyl]methanol

C15H30N2O2 — CID 79571201

IUPAC[1-amino-2-[2-[methyl(oxan-4-ylmethyl)amino]ethyl]cyclopentyl]methanol
SMILESCN(CCC1CCCC1(N)CO)CC1CCOCC1
InChIInChI=1S/C15H30N2O2/c1-17(11-13-5-9-19-10-6-13)8-4-14-3-2-7-15(14,16)12-18/h13-14,18H,2-12,16H2,1H3
InChIKeyLZBPONRDIYNPBZ-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.22
Rot. Bonds6

About [1-amino-2-[2-[methyl(oxan-4-ylmethyl)amino]ethyl]cyclopentyl]methanol

[1-amino-2-[2-[methyl(oxan-4-ylmethyl)amino]ethyl]cyclopentyl]methanol (PubChem CID 79571201) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is [1-amino-2-[2-[methyl(oxan-4-ylmethyl)amino]ethyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-amino-2-[2-[methyl(oxan-4-ylmethyl)amino]ethyl]cyclopentyl]methanol
PubChem CID79571201
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name[1-amino-2-[2-[methyl(oxan-4-ylmethyl)amino]ethyl]cyclopentyl]methanol
SMILESCN(CCC1CCCC1(N)CO)CC1CCOCC1
InChIInChI=1S/C15H30N2O2/c1-17(11-13-5-9-19-10-6-13)8-4-14-3-2-7-15(14,16)12-18/h13-14,18H,2-12,16H2,1H3
InChIKeyLZBPONRDIYNPBZ-UHFFFAOYSA-N
XLogP1.22
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-amino-2-[2-[methyl(oxan-4-ylmethyl)amino]ethyl]cyclopentyl]methanol?
The IUPAC name of [1-amino-2-[2-[methyl(oxan-4-ylmethyl)amino]ethyl]cyclopentyl]methanol (CID 79571201) is [1-amino-2-[2-[methyl(oxan-4-ylmethyl)amino]ethyl]cyclopentyl]methanol.
What is the SMILES notation for [1-amino-2-[2-[methyl(oxan-4-ylmethyl)amino]ethyl]cyclopentyl]methanol?
The canonical SMILES for [1-amino-2-[2-[methyl(oxan-4-ylmethyl)amino]ethyl]cyclopentyl]methanol is CN(CCC1CCCC1(N)CO)CC1CCOCC1.
What is the InChIKey of [1-amino-2-[2-[methyl(oxan-4-ylmethyl)amino]ethyl]cyclopentyl]methanol?
The InChIKey is LZBPONRDIYNPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-17(11-13-5-9-19-10-6-13)8-4-14-3-2-7-15(14,16)12-18/h13-14,18H,2-12,16H2,1H3.
What are the key properties of [1-amino-2-[2-[methyl(oxan-4-ylmethyl)amino]ethyl]cyclopentyl]methanol?
[1-amino-2-[2-[methyl(oxan-4-ylmethyl)amino]ethyl]cyclopentyl]methanol has a molecular weight of 270.42 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-2-[2-[methyl(oxan-4-ylmethyl)amino]ethyl]cyclopentyl]methanol is sourced from PubChem (CID 79571201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).