[3-[methyl(oxan-4-yl)amino]-1-(propylamino)cyclopentyl]methanol

C15H30N2O2 — CID 79655803

IUPAC[3-[methyl(oxan-4-yl)amino]-1-(propylamino)cyclopentyl]methanol
SMILESCCCNC1(CO)CCC(N(C)C2CCOCC2)C1
InChIInChI=1S/C15H30N2O2/c1-3-8-16-15(12-18)7-4-14(11-15)17(2)13-5-9-19-10-6-13/h13-14,16,18H,3-12H2,1-2H3
InChIKeyBXKOBWZQGSASKJ-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.38
Rot. Bonds6

About [3-[methyl(oxan-4-yl)amino]-1-(propylamino)cyclopentyl]methanol

[3-[methyl(oxan-4-yl)amino]-1-(propylamino)cyclopentyl]methanol (PubChem CID 79655803) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is [3-[methyl(oxan-4-yl)amino]-1-(propylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[3-[methyl(oxan-4-yl)amino]-1-(propylamino)cyclopentyl]methanol
PubChem CID79655803
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name[3-[methyl(oxan-4-yl)amino]-1-(propylamino)cyclopentyl]methanol
SMILESCCCNC1(CO)CCC(N(C)C2CCOCC2)C1
InChIInChI=1S/C15H30N2O2/c1-3-8-16-15(12-18)7-4-14(11-15)17(2)13-5-9-19-10-6-13/h13-14,16,18H,3-12H2,1-2H3
InChIKeyBXKOBWZQGSASKJ-UHFFFAOYSA-N
XLogP1.38
TPSA44.73 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 ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[methyl(oxan-4-yl)amino]-1-(propylamino)cyclopentyl]methanol?
The IUPAC name of [3-[methyl(oxan-4-yl)amino]-1-(propylamino)cyclopentyl]methanol (CID 79655803) is [3-[methyl(oxan-4-yl)amino]-1-(propylamino)cyclopentyl]methanol.
What is the SMILES notation for [3-[methyl(oxan-4-yl)amino]-1-(propylamino)cyclopentyl]methanol?
The canonical SMILES for [3-[methyl(oxan-4-yl)amino]-1-(propylamino)cyclopentyl]methanol is CCCNC1(CO)CCC(N(C)C2CCOCC2)C1.
What is the InChIKey of [3-[methyl(oxan-4-yl)amino]-1-(propylamino)cyclopentyl]methanol?
The InChIKey is BXKOBWZQGSASKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-3-8-16-15(12-18)7-4-14(11-15)17(2)13-5-9-19-10-6-13/h13-14,16,18H,3-12H2,1-2H3.
What are the key properties of [3-[methyl(oxan-4-yl)amino]-1-(propylamino)cyclopentyl]methanol?
[3-[methyl(oxan-4-yl)amino]-1-(propylamino)cyclopentyl]methanol has a molecular weight of 270.42 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[methyl(oxan-4-yl)amino]-1-(propylamino)cyclopentyl]methanol is sourced from PubChem (CID 79655803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).