[2-[2-[methyl(2-methylbutyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol

C17H36N2O — CID 79571377

IUPAC[2-[2-[methyl(2-methylbutyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
SMILESCCC(C)CN(C)CCC1CCCC1(CO)NC(C)C
InChIInChI=1S/C17H36N2O/c1-6-15(4)12-19(5)11-9-16-8-7-10-17(16,13-20)18-14(2)3/h14-16,18,20H,6-13H2,1-5H3
InChIKeyAFVARJRCDXZATI-UHFFFAOYSA-N
MW284.49 g/mol
LogP2.88
Rot. Bonds9

About [2-[2-[methyl(2-methylbutyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol

[2-[2-[methyl(2-methylbutyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol (PubChem CID 79571377) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is [2-[2-[methyl(2-methylbutyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[2-[methyl(2-methylbutyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
PubChem CID79571377
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name[2-[2-[methyl(2-methylbutyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
SMILESCCC(C)CN(C)CCC1CCCC1(CO)NC(C)C
InChIInChI=1S/C17H36N2O/c1-6-15(4)12-19(5)11-9-16-8-7-10-17(16,13-20)18-14(2)3/h14-16,18,20H,6-13H2,1-5H3
InChIKeyAFVARJRCDXZATI-UHFFFAOYSA-N
XLogP2.88
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79571345
[2-[2-[3-methoxypropyl(methyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79571919
[2-[2-[cyclopentyl(ethyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79566933
[2-[2-[methyl(2-methylpropyl)amino]ethyl]-1-(propylamino)cyclopentyl]methanol
CID 79571507
[2-[2-[butyl(cyclopropyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79567491
[2-[2-[cyclopropylmethyl(propan-2-yl)amino]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79567218
[2-(2-ethylsulfanylethyl)-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79582041
[2-(2-methoxyethyl)-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79581006
[2-[2-[ethyl(2-methylpropyl)amino]ethyl]-1-(methylamino)cyclopentyl]methanol
CID 79571940
[2-(2-piperidin-1-ylethyl)-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79571987
[2-[2-[ethyl(methyl)amino]ethyl]-1-(propylamino)cyclopentyl]methanol
CID 79571443
[2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 106450765

Frequently Asked Questions

What is the IUPAC name of [2-[2-[methyl(2-methylbutyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol?
The IUPAC name of [2-[2-[methyl(2-methylbutyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol (CID 79571377) is [2-[2-[methyl(2-methylbutyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol.
What is the SMILES notation for [2-[2-[methyl(2-methylbutyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol?
The canonical SMILES for [2-[2-[methyl(2-methylbutyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol is CCC(C)CN(C)CCC1CCCC1(CO)NC(C)C.
What is the InChIKey of [2-[2-[methyl(2-methylbutyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol?
The InChIKey is AFVARJRCDXZATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-6-15(4)12-19(5)11-9-16-8-7-10-17(16,13-20)18-14(2)3/h14-16,18,20H,6-13H2,1-5H3.
What are the key properties of [2-[2-[methyl(2-methylbutyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol?
[2-[2-[methyl(2-methylbutyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol has a molecular weight of 284.49 g/mol, XLogP of 2.88, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[methyl(2-methylbutyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol is sourced from PubChem (CID 79571377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).