1-cyclopentyl-3-[3-(dimethylamino)propylamino]propan-2-ol

C13H28N2O — CID 103157144

IUPAC1-cyclopentyl-3-[3-(dimethylamino)propylamino]propan-2-ol
SMILESCN(C)CCCNCC(O)CC1CCCC1
InChIInChI=1S/C13H28N2O/c1-15(2)9-5-8-14-11-13(16)10-12-6-3-4-7-12/h12-14,16H,3-11H2,1-2H3
InChIKeyZBKFOTMUUPAOGL-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.47
Rot. Bonds8

About 1-cyclopentyl-3-[3-(dimethylamino)propylamino]propan-2-ol

1-cyclopentyl-3-[3-(dimethylamino)propylamino]propan-2-ol (PubChem CID 103157144) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-cyclopentyl-3-[3-(dimethylamino)propylamino]propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyl-3-[3-(dimethylamino)propylamino]propan-2-ol
PubChem CID103157144
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name1-cyclopentyl-3-[3-(dimethylamino)propylamino]propan-2-ol
SMILESCN(C)CCCNCC(O)CC1CCCC1
InChIInChI=1S/C13H28N2O/c1-15(2)9-5-8-14-11-13(16)10-12-6-3-4-7-12/h12-14,16H,3-11H2,1-2H3
InChIKeyZBKFOTMUUPAOGL-UHFFFAOYSA-N
XLogP1.47
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopentyl-3-(3-hydroxypropylamino)propan-2-ol
CID 103157277
1-cyclopentyl-3-[4-[methyl(propan-2-yl)amino]butylamino]propan-2-ol
CID 103157622
1-cyclopentyl-3-(2-propan-2-yloxyethylamino)propan-2-ol
CID 103158287
1-cyclopentyl-3-[4-(dimethylamino)butan-2-ylamino]propan-2-ol
CID 103157536
1-(2-butoxyethylamino)-3-cyclopentylpropan-2-ol
CID 103157414
1-(but-3-enylamino)-3-cyclopentylpropan-2-ol
CID 103158305
N-(1-cyclohexylpropan-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 165494361
(2S)-3-[3-[cyclohexyl(methyl)amino]propylamino]propane-1,2-diol
CID 61142942
N-(1-cyclobutylpropan-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 115705382
1-[3-[cyclobutyl(2-hydroxypropyl)amino]propylamino]propan-2-ol
CID 149151222
1-cyclopentyl-3-(2-piperidin-1-ylethylamino)propan-2-ol
CID 103157548
1-cyclopentyl-3-(2,3,3-trimethylbutylamino)propan-2-ol
CID 103158223

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[3-(dimethylamino)propylamino]propan-2-ol?
The IUPAC name of 1-cyclopentyl-3-[3-(dimethylamino)propylamino]propan-2-ol (CID 103157144) is 1-cyclopentyl-3-[3-(dimethylamino)propylamino]propan-2-ol.
What is the SMILES notation for 1-cyclopentyl-3-[3-(dimethylamino)propylamino]propan-2-ol?
The canonical SMILES for 1-cyclopentyl-3-[3-(dimethylamino)propylamino]propan-2-ol is CN(C)CCCNCC(O)CC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[3-(dimethylamino)propylamino]propan-2-ol?
The InChIKey is ZBKFOTMUUPAOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-15(2)9-5-8-14-11-13(16)10-12-6-3-4-7-12/h12-14,16H,3-11H2,1-2H3.
What are the key properties of 1-cyclopentyl-3-[3-(dimethylamino)propylamino]propan-2-ol?
1-cyclopentyl-3-[3-(dimethylamino)propylamino]propan-2-ol has a molecular weight of 228.38 g/mol, XLogP of 1.47, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[3-(dimethylamino)propylamino]propan-2-ol is sourced from PubChem (CID 103157144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).