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

C15H32N2O — CID 79656362

IUPAC[3-[methyl(2-methylbutyl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol
SMILESCCC(C)CN(C)C1CCC(CO)(NC(C)C)C1
InChIInChI=1S/C15H32N2O/c1-6-13(4)10-17(5)14-7-8-15(9-14,11-18)16-12(2)3/h12-14,16,18H,6-11H2,1-5H3
InChIKeyTVVJSOASQQISLR-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.25
Rot. Bonds7

About [3-[methyl(2-methylbutyl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol

[3-[methyl(2-methylbutyl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol (PubChem CID 79656362) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is [3-[methyl(2-methylbutyl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[3-[methyl(2-methylbutyl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol
PubChem CID79656362
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name[3-[methyl(2-methylbutyl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol
SMILESCCC(C)CN(C)C1CCC(CO)(NC(C)C)C1
InChIInChI=1S/C15H32N2O/c1-6-13(4)10-17(5)14-7-8-15(9-14,11-18)16-12(2)3/h12-14,16,18H,6-11H2,1-5H3
InChIKeyTVVJSOASQQISLR-UHFFFAOYSA-N
XLogP2.25
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[methyl(2-methylbutyl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol?
The IUPAC name of [3-[methyl(2-methylbutyl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol (CID 79656362) is [3-[methyl(2-methylbutyl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol.
What is the SMILES notation for [3-[methyl(2-methylbutyl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol?
The canonical SMILES for [3-[methyl(2-methylbutyl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol is CCC(C)CN(C)C1CCC(CO)(NC(C)C)C1.
What is the InChIKey of [3-[methyl(2-methylbutyl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol?
The InChIKey is TVVJSOASQQISLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-6-13(4)10-17(5)14-7-8-15(9-14,11-18)16-12(2)3/h12-14,16,18H,6-11H2,1-5H3.
What are the key properties of [3-[methyl(2-methylbutyl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol?
[3-[methyl(2-methylbutyl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol has a molecular weight of 256.43 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[methyl(2-methylbutyl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol is sourced from PubChem (CID 79656362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).