1-[3-[cyclobutyl(2-hydroxypropyl)amino]propylamino]propan-2-ol

C13H28N2O2 — CID 149151222

IUPAC1-[3-[cyclobutyl(2-hydroxypropyl)amino]propylamino]propan-2-ol
SMILESCC(O)CNCCCN(CC(C)O)C1CCC1
InChIInChI=1S/C13H28N2O2/c1-11(16)9-14-7-4-8-15(10-12(2)17)13-5-3-6-13/h11-14,16-17H,3-10H2,1-2H3
InChIKeyYEEZTQLNOHUSAW-UHFFFAOYSA-N
MW244.38 g/mol
LogP0.58
Rot. Bonds9

About 1-[3-[cyclobutyl(2-hydroxypropyl)amino]propylamino]propan-2-ol

1-[3-[cyclobutyl(2-hydroxypropyl)amino]propylamino]propan-2-ol (PubChem CID 149151222) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-[3-[cyclobutyl(2-hydroxypropyl)amino]propylamino]propan-2-ol.

Molecular Properties

Compound Name1-[3-[cyclobutyl(2-hydroxypropyl)amino]propylamino]propan-2-ol
PubChem CID149151222
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name1-[3-[cyclobutyl(2-hydroxypropyl)amino]propylamino]propan-2-ol
SMILESCC(O)CNCCCN(CC(C)O)C1CCC1
InChIInChI=1S/C13H28N2O2/c1-11(16)9-14-7-4-8-15(10-12(2)17)13-5-3-6-13/h11-14,16-17H,3-10H2,1-2H3
InChIKeyYEEZTQLNOHUSAW-UHFFFAOYSA-N
XLogP0.58
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[cyclohexyl(2-hydroxypropyl)amino]propyl]acetamide
CID 111103348
N'-cyclopropyl-N,N'-bis(2-methylpropyl)butane-1,4-diamine
CID 62428833
1-[2-aminoethyl(cyclohexyl)amino]propan-2-ol
CID 65279530
1-cyclopentyl-3-[3-(dimethylamino)propylamino]propan-2-ol
CID 103157144
1-[cyclopropyl(propyl)amino]propan-2-ol
CID 60886554
N'-cyclohexyl-N'-ethyl-N-(2-methylpropyl)butane-1,4-diamine
CID 62425397
3-[cyclobutyl-[3-(ethylamino)propyl]amino]propan-1-ol
CID 102869544
(2S)-3-[3-[cyclohexyl(methyl)amino]propylamino]propane-1,2-diol
CID 61142942
3-[cyclobutyl(3-hydroxypropyl)amino]-2-methylpropanehydrazide
CID 102873681
6-[cyclopentyl(2-methylpropyl)amino]hexan-1-ol
CID 103737867
3-[3-[cyclohexyl(3-hydroxypropyl)amino]propylamino]propan-1-ol
CID 149151262
1-(2-aminoethylamino)propan-2-ol;1-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]propan-2-ol
CID 19893086

Frequently Asked Questions

What is the IUPAC name of 1-[3-[cyclobutyl(2-hydroxypropyl)amino]propylamino]propan-2-ol?
The IUPAC name of 1-[3-[cyclobutyl(2-hydroxypropyl)amino]propylamino]propan-2-ol (CID 149151222) is 1-[3-[cyclobutyl(2-hydroxypropyl)amino]propylamino]propan-2-ol.
What is the SMILES notation for 1-[3-[cyclobutyl(2-hydroxypropyl)amino]propylamino]propan-2-ol?
The canonical SMILES for 1-[3-[cyclobutyl(2-hydroxypropyl)amino]propylamino]propan-2-ol is CC(O)CNCCCN(CC(C)O)C1CCC1.
What is the InChIKey of 1-[3-[cyclobutyl(2-hydroxypropyl)amino]propylamino]propan-2-ol?
The InChIKey is YEEZTQLNOHUSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-11(16)9-14-7-4-8-15(10-12(2)17)13-5-3-6-13/h11-14,16-17H,3-10H2,1-2H3.
What are the key properties of 1-[3-[cyclobutyl(2-hydroxypropyl)amino]propylamino]propan-2-ol?
1-[3-[cyclobutyl(2-hydroxypropyl)amino]propylamino]propan-2-ol has a molecular weight of 244.38 g/mol, XLogP of 0.58, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[cyclobutyl(2-hydroxypropyl)amino]propylamino]propan-2-ol is sourced from PubChem (CID 149151222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).