trans-(1R,2R)-4-[2-[(2-hydroxycyclopentyl)-(2-methylpropyl)amino]ethoxymethyl]-2-[methyl(2-methylpropyl)amino]cyclopentan-1-ol

C22H44N2O3 — CID 167274002

IUPACtrans-(1R,2R)-4-[2-[(2-hydroxycyclopentyl)-(2-methylpropyl)amino]ethoxymethyl]-2-[methyl(2-methylpropyl)amino]cyclopentan-1-ol
SMILESCC(C)CN(CCOCC1C[C@@H](O)[C@H](N(C)CC(C)C)C1)C1CCCC1O
InChIInChI=1S/C22H44N2O3/c1-16(2)13-23(5)20-11-18(12-22(20)26)15-27-10-9-24(14-17(3)4)19-7-6-8-21(19)25/h16-22,25-26H,6-15H2,1-5H3/t18?,19?,20-,21?,22-/m1/s1
InChIKeySCINOGPBCDOZOV-VQRQHBNNSA-N
MW384.61 g/mol
LogP2.60
Rot. Bonds11

About trans-(1R,2R)-4-[2-[(2-hydroxycyclopentyl)-(2-methylpropyl)amino]ethoxymethyl]-2-[methyl(2-methylpropyl)amino]cyclopentan-1-ol

trans-(1R,2R)-4-[2-[(2-hydroxycyclopentyl)-(2-methylpropyl)amino]ethoxymethyl]-2-[methyl(2-methylpropyl)amino]cyclopentan-1-ol (PubChem CID 167274002) has the molecular formula C22H44N2O3 and a molecular weight of 384.61 g/mol. Its IUPAC name is trans-(1R,2R)-4-[2-[(2-hydroxycyclopentyl)-(2-methylpropyl)amino]ethoxymethyl]-2-[methyl(2-methylpropyl)amino]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-4-[2-[(2-hydroxycyclopentyl)-(2-methylpropyl)amino]ethoxymethyl]-2-[methyl(2-methylpropyl)amino]cyclopentan-1-ol
PubChem CID167274002
Molecular FormulaC22H44N2O3
Molecular Weight384.61 g/mol
Exact Mass384.34
IUPAC Nametrans-(1R,2R)-4-[2-[(2-hydroxycyclopentyl)-(2-methylpropyl)amino]ethoxymethyl]-2-[methyl(2-methylpropyl)amino]cyclopentan-1-ol
SMILESCC(C)CN(CCOCC1C[C@@H](O)[C@H](N(C)CC(C)C)C1)C1CCCC1O
InChIInChI=1S/C22H44N2O3/c1-16(2)13-23(5)20-11-18(12-22(20)26)15-27-10-9-24(14-17(3)4)19-7-6-8-21(19)25/h16-22,25-26H,6-15H2,1-5H3/t18?,19?,20-,21?,22-/m1/s1
InChIKeySCINOGPBCDOZOV-VQRQHBNNSA-N
XLogP2.60
TPSA56.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.61
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze trans-(1R,2R)-4-[2-[(2-hydroxycyclopentyl)-(2-methylpropyl)amino]ethoxymethyl]-2-[methyl(2-methylpropyl)amino]cyclopentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-4-[2-[(2-hydroxycyclopentyl)-(2-methylpropyl)amino]ethoxymethyl]-2-[methyl(2-methylpropyl)amino]cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-4-[2-[(2-hydroxycyclopentyl)-(2-methylpropyl)amino]ethoxymethyl]-2-[methyl(2-methylpropyl)amino]cyclopentan-1-ol (CID 167274002) is trans-(1R,2R)-4-[2-[(2-hydroxycyclopentyl)-(2-methylpropyl)amino]ethoxymethyl]-2-[methyl(2-methylpropyl)amino]cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-4-[2-[(2-hydroxycyclopentyl)-(2-methylpropyl)amino]ethoxymethyl]-2-[methyl(2-methylpropyl)amino]cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-4-[2-[(2-hydroxycyclopentyl)-(2-methylpropyl)amino]ethoxymethyl]-2-[methyl(2-methylpropyl)amino]cyclopentan-1-ol is CC(C)CN(CCOCC1C[C@@H](O)[C@H](N(C)CC(C)C)C1)C1CCCC1O.
What is the InChIKey of trans-(1R,2R)-4-[2-[(2-hydroxycyclopentyl)-(2-methylpropyl)amino]ethoxymethyl]-2-[methyl(2-methylpropyl)amino]cyclopentan-1-ol?
The InChIKey is SCINOGPBCDOZOV-VQRQHBNNSA-N. The full InChI is InChI=1S/C22H44N2O3/c1-16(2)13-23(5)20-11-18(12-22(20)26)15-27-10-9-24(14-17(3)4)19-7-6-8-21(19)25/h16-22,25-26H,6-15H2,1-5H3/t18?,19?,20-,21?,22-/m1/s1.
What are the key properties of trans-(1R,2R)-4-[2-[(2-hydroxycyclopentyl)-(2-methylpropyl)amino]ethoxymethyl]-2-[methyl(2-methylpropyl)amino]cyclopentan-1-ol?
trans-(1R,2R)-4-[2-[(2-hydroxycyclopentyl)-(2-methylpropyl)amino]ethoxymethyl]-2-[methyl(2-methylpropyl)amino]cyclopentan-1-ol has a molecular weight of 384.61 g/mol, XLogP of 2.60, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-4-[2-[(2-hydroxycyclopentyl)-(2-methylpropyl)amino]ethoxymethyl]-2-[methyl(2-methylpropyl)amino]cyclopentan-1-ol is sourced from PubChem (CID 167274002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).