[1-amino-3-[ethyl(oxolan-2-ylmethyl)amino]cyclopentyl]methanol

C13H26N2O2 — CID 79656703

IUPAC[1-amino-3-[ethyl(oxolan-2-ylmethyl)amino]cyclopentyl]methanol
SMILESCCN(CC1CCCO1)C1CCC(N)(CO)C1
InChIInChI=1S/C13H26N2O2/c1-2-15(9-12-4-3-7-17-12)11-5-6-13(14,8-11)10-16/h11-12,16H,2-10,14H2,1H3
InChIKeySUWVVYGEASLXGD-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.73
Rot. Bonds5

About [1-amino-3-[ethyl(oxolan-2-ylmethyl)amino]cyclopentyl]methanol

[1-amino-3-[ethyl(oxolan-2-ylmethyl)amino]cyclopentyl]methanol (PubChem CID 79656703) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is [1-amino-3-[ethyl(oxolan-2-ylmethyl)amino]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-amino-3-[ethyl(oxolan-2-ylmethyl)amino]cyclopentyl]methanol
PubChem CID79656703
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name[1-amino-3-[ethyl(oxolan-2-ylmethyl)amino]cyclopentyl]methanol
SMILESCCN(CC1CCCO1)C1CCC(N)(CO)C1
InChIInChI=1S/C13H26N2O2/c1-2-15(9-12-4-3-7-17-12)11-5-6-13(14,8-11)10-16/h11-12,16H,2-10,14H2,1H3
InChIKeySUWVVYGEASLXGD-UHFFFAOYSA-N
XLogP0.73
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-amino-3-[ethyl(oxolan-2-ylmethyl)amino]cyclopentyl]methanol?
The IUPAC name of [1-amino-3-[ethyl(oxolan-2-ylmethyl)amino]cyclopentyl]methanol (CID 79656703) is [1-amino-3-[ethyl(oxolan-2-ylmethyl)amino]cyclopentyl]methanol.
What is the SMILES notation for [1-amino-3-[ethyl(oxolan-2-ylmethyl)amino]cyclopentyl]methanol?
The canonical SMILES for [1-amino-3-[ethyl(oxolan-2-ylmethyl)amino]cyclopentyl]methanol is CCN(CC1CCCO1)C1CCC(N)(CO)C1.
What is the InChIKey of [1-amino-3-[ethyl(oxolan-2-ylmethyl)amino]cyclopentyl]methanol?
The InChIKey is SUWVVYGEASLXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-2-15(9-12-4-3-7-17-12)11-5-6-13(14,8-11)10-16/h11-12,16H,2-10,14H2,1H3.
What are the key properties of [1-amino-3-[ethyl(oxolan-2-ylmethyl)amino]cyclopentyl]methanol?
[1-amino-3-[ethyl(oxolan-2-ylmethyl)amino]cyclopentyl]methanol has a molecular weight of 242.36 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-3-[ethyl(oxolan-2-ylmethyl)amino]cyclopentyl]methanol is sourced from PubChem (CID 79656703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).