1-(azocan-1-yl)-3-(cyclopropylamino)propan-2-ol

C13H26N2O — CID 43165880

IUPAC1-(azocan-1-yl)-3-(cyclopropylamino)propan-2-ol
SMILESOC(CNC1CC1)CN1CCCCCCC1
InChIInChI=1S/C13H26N2O/c16-13(10-14-12-6-7-12)11-15-8-4-2-1-3-5-9-15/h12-14,16H,1-11H2
InChIKeyZNWMTZZFXZCVIT-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.37
Rot. Bonds5

About 1-(azocan-1-yl)-3-(cyclopropylamino)propan-2-ol

1-(azocan-1-yl)-3-(cyclopropylamino)propan-2-ol (PubChem CID 43165880) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-(azocan-1-yl)-3-(cyclopropylamino)propan-2-ol.

Molecular Properties

Compound Name1-(azocan-1-yl)-3-(cyclopropylamino)propan-2-ol
PubChem CID43165880
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-(azocan-1-yl)-3-(cyclopropylamino)propan-2-ol
SMILESOC(CNC1CC1)CN1CCCCCCC1
InChIInChI=1S/C13H26N2O/c16-13(10-14-12-6-7-12)11-15-8-4-2-1-3-5-9-15/h12-14,16H,1-11H2
InChIKeyZNWMTZZFXZCVIT-UHFFFAOYSA-N
XLogP1.37
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azepan-1-yl)-3-(cyclopropylamino)propan-2-ol
CID 43165749
(2S)-1-(cyclohexylamino)-3-[4-[(2S)-3-(cyclohexylamino)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 7446257
1-(cyclopropylamino)-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-2-ol
CID 62996690
1-(3-azaspiro[5.5]undecan-3-yl)-3-(cyclopropylamino)propan-2-ol
CID 62937041
1-(cyclopropylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol
CID 62775844
1-[(1-benzylpiperidin-4-yl)amino]-3-pyrrolidin-1-ylpropan-2-ol
CID 110885328
(2S)-1-(cyclopropylamino)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol
CID 124550924
(2S)-1-(cyclopropylamino)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-ol
CID 124669128
1-[(2,3-dimethylcyclopentyl)amino]-3-pyrrolidin-1-ylpropan-2-ol
CID 64909797
1-[(3-methylcyclopentyl)amino]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 111466677
1-[(2-propan-2-ylcyclohexyl)amino]-3-pyrrolidin-1-ylpropan-2-ol
CID 81328585
1-[[(1R)-1-cyclopentylethyl]amino]-3-pyrrolidin-1-ylpropan-2-ol
CID 81396165

Frequently Asked Questions

What is the IUPAC name of 1-(azocan-1-yl)-3-(cyclopropylamino)propan-2-ol?
The IUPAC name of 1-(azocan-1-yl)-3-(cyclopropylamino)propan-2-ol (CID 43165880) is 1-(azocan-1-yl)-3-(cyclopropylamino)propan-2-ol.
What is the SMILES notation for 1-(azocan-1-yl)-3-(cyclopropylamino)propan-2-ol?
The canonical SMILES for 1-(azocan-1-yl)-3-(cyclopropylamino)propan-2-ol is OC(CNC1CC1)CN1CCCCCCC1.
What is the InChIKey of 1-(azocan-1-yl)-3-(cyclopropylamino)propan-2-ol?
The InChIKey is ZNWMTZZFXZCVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c16-13(10-14-12-6-7-12)11-15-8-4-2-1-3-5-9-15/h12-14,16H,1-11H2.
What are the key properties of 1-(azocan-1-yl)-3-(cyclopropylamino)propan-2-ol?
1-(azocan-1-yl)-3-(cyclopropylamino)propan-2-ol has a molecular weight of 226.36 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azocan-1-yl)-3-(cyclopropylamino)propan-2-ol is sourced from PubChem (CID 43165880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).