2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-4-propylcyclohexan-1-ol

C16H33NO2 — CID 55094628

IUPAC2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)C(CN(CCCO)C(C)C)C1
InChIInChI=1S/C16H33NO2/c1-4-6-14-7-8-16(19)15(11-14)12-17(13(2)3)9-5-10-18/h13-16,18-19H,4-12H2,1-3H3
InChIKeyDBMMVBSVIPUFJR-UHFFFAOYSA-N
MW271.44 g/mol
LogP2.66
Rot. Bonds8

About 2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-4-propylcyclohexan-1-ol

2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-4-propylcyclohexan-1-ol (PubChem CID 55094628) has the molecular formula C16H33NO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is 2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-4-propylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-4-propylcyclohexan-1-ol
PubChem CID55094628
Molecular FormulaC16H33NO2
Molecular Weight271.44 g/mol
Exact Mass271.25
IUPAC Name2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)C(CN(CCCO)C(C)C)C1
InChIInChI=1S/C16H33NO2/c1-4-6-14-7-8-16(19)15(11-14)12-17(13(2)3)9-5-10-18/h13-16,18-19H,4-12H2,1-3H3
InChIKeyDBMMVBSVIPUFJR-UHFFFAOYSA-N
XLogP2.66
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-4-propylcyclohexan-1-ol?
The IUPAC name of 2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-4-propylcyclohexan-1-ol (CID 55094628) is 2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-4-propylcyclohexan-1-ol.
What is the SMILES notation for 2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-4-propylcyclohexan-1-ol?
The canonical SMILES for 2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-4-propylcyclohexan-1-ol is CCCC1CCC(O)C(CN(CCCO)C(C)C)C1.
What is the InChIKey of 2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-4-propylcyclohexan-1-ol?
The InChIKey is DBMMVBSVIPUFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2/c1-4-6-14-7-8-16(19)15(11-14)12-17(13(2)3)9-5-10-18/h13-16,18-19H,4-12H2,1-3H3.
What are the key properties of 2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-4-propylcyclohexan-1-ol?
2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-4-propylcyclohexan-1-ol has a molecular weight of 271.44 g/mol, XLogP of 2.66, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-4-propylcyclohexan-1-ol is sourced from PubChem (CID 55094628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).