[1-[[butan-2-yl(butyl)amino]methyl]cyclopentyl]methanol

C15H31NO — CID 55055188

IUPAC[1-[[butan-2-yl(butyl)amino]methyl]cyclopentyl]methanol
SMILESCCCCN(CC1(CO)CCCC1)C(C)CC
InChIInChI=1S/C15H31NO/c1-4-6-11-16(14(3)5-2)12-15(13-17)9-7-8-10-15/h14,17H,4-13H2,1-3H3
InChIKeyZTISXEMPMAVRLU-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.44
Rot. Bonds8

About [1-[[butan-2-yl(butyl)amino]methyl]cyclopentyl]methanol

[1-[[butan-2-yl(butyl)amino]methyl]cyclopentyl]methanol (PubChem CID 55055188) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is [1-[[butan-2-yl(butyl)amino]methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[[butan-2-yl(butyl)amino]methyl]cyclopentyl]methanol
PubChem CID55055188
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name[1-[[butan-2-yl(butyl)amino]methyl]cyclopentyl]methanol
SMILESCCCCN(CC1(CO)CCCC1)C(C)CC
InChIInChI=1S/C15H31NO/c1-4-6-11-16(14(3)5-2)12-15(13-17)9-7-8-10-15/h14,17H,4-13H2,1-3H3
InChIKeyZTISXEMPMAVRLU-UHFFFAOYSA-N
XLogP3.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[[butan-2-yl(butyl)amino]methyl]cyclopentyl]methanol?
The IUPAC name of [1-[[butan-2-yl(butyl)amino]methyl]cyclopentyl]methanol (CID 55055188) is [1-[[butan-2-yl(butyl)amino]methyl]cyclopentyl]methanol.
What is the SMILES notation for [1-[[butan-2-yl(butyl)amino]methyl]cyclopentyl]methanol?
The canonical SMILES for [1-[[butan-2-yl(butyl)amino]methyl]cyclopentyl]methanol is CCCCN(CC1(CO)CCCC1)C(C)CC.
What is the InChIKey of [1-[[butan-2-yl(butyl)amino]methyl]cyclopentyl]methanol?
The InChIKey is ZTISXEMPMAVRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-4-6-11-16(14(3)5-2)12-15(13-17)9-7-8-10-15/h14,17H,4-13H2,1-3H3.
What are the key properties of [1-[[butan-2-yl(butyl)amino]methyl]cyclopentyl]methanol?
[1-[[butan-2-yl(butyl)amino]methyl]cyclopentyl]methanol has a molecular weight of 241.42 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[butan-2-yl(butyl)amino]methyl]cyclopentyl]methanol is sourced from PubChem (CID 55055188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).