3-[cyclopentyl(3-methylbutyl)amino]propane-1,2-diol

C13H27NO2 — CID 82850075

IUPAC3-[cyclopentyl(3-methylbutyl)amino]propane-1,2-diol
SMILESCC(C)CCN(CC(O)CO)C1CCCC1
InChIInChI=1S/C13H27NO2/c1-11(2)7-8-14(9-13(16)10-15)12-5-3-4-6-12/h11-13,15-16H,3-10H2,1-2H3
InChIKeyNFMNJQKFOIVGBX-UHFFFAOYSA-N
MW229.36 g/mol
LogP1.63
Rot. Bonds7

About 3-[cyclopentyl(3-methylbutyl)amino]propane-1,2-diol

3-[cyclopentyl(3-methylbutyl)amino]propane-1,2-diol (PubChem CID 82850075) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 3-[cyclopentyl(3-methylbutyl)amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[cyclopentyl(3-methylbutyl)amino]propane-1,2-diol
PubChem CID82850075
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name3-[cyclopentyl(3-methylbutyl)amino]propane-1,2-diol
SMILESCC(C)CCN(CC(O)CO)C1CCCC1
InChIInChI=1S/C13H27NO2/c1-11(2)7-8-14(9-13(16)10-15)12-5-3-4-6-12/h11-13,15-16H,3-10H2,1-2H3
InChIKeyNFMNJQKFOIVGBX-UHFFFAOYSA-N
XLogP1.63
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclobutyl(2-hydroxyethyl)amino]propane-1,2-diol
CID 102867765
1-cyclopentyl-3-[cyclopropyl(3-methylbutyl)amino]propan-2-ol
CID 103159907
3-[3-aminopropyl(cycloheptyl)amino]propane-1,2-diol
CID 82850125
N',1-dicyclopentyl-N-methyl-N'-(3-methylbutyl)ethane-1,2-diamine
CID 104746796
1-(cyclopropylamino)-3-[cyclopropyl(3-methylbutyl)amino]propan-2-ol
CID 78974043
6-[cyclopentyl(2-methylpropyl)amino]hexan-3-ol
CID 106802461
2-[cyclopentyl(2,3-dihydroxypropyl)amino]ethanethioamide
CID 82851165
3-[cyclohexyl(3-methylbutyl)amino]propanoic acid
CID 82328845
N'-cyclopropyl-2-methyl-N'-(3-methylbutyl)propane-1,3-diamine
CID 78973832
2-[cyclopentyl(2-methylpentyl)amino]ethanol
CID 62266267
6-[cyclopentyl(2-methylpropyl)amino]hexan-1-ol
CID 103737867
2-[[cyclopentyl(3-methylbutyl)amino]methyl]prop-2-ene-1-thiol
CID 103073511

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopentyl(3-methylbutyl)amino]propane-1,2-diol?
The IUPAC name of 3-[cyclopentyl(3-methylbutyl)amino]propane-1,2-diol (CID 82850075) is 3-[cyclopentyl(3-methylbutyl)amino]propane-1,2-diol.
What is the SMILES notation for 3-[cyclopentyl(3-methylbutyl)amino]propane-1,2-diol?
The canonical SMILES for 3-[cyclopentyl(3-methylbutyl)amino]propane-1,2-diol is CC(C)CCN(CC(O)CO)C1CCCC1.
What is the InChIKey of 3-[cyclopentyl(3-methylbutyl)amino]propane-1,2-diol?
The InChIKey is NFMNJQKFOIVGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-11(2)7-8-14(9-13(16)10-15)12-5-3-4-6-12/h11-13,15-16H,3-10H2,1-2H3.
What are the key properties of 3-[cyclopentyl(3-methylbutyl)amino]propane-1,2-diol?
3-[cyclopentyl(3-methylbutyl)amino]propane-1,2-diol has a molecular weight of 229.36 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopentyl(3-methylbutyl)amino]propane-1,2-diol is sourced from PubChem (CID 82850075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).