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

C10H22N2O — CID 104710806

IUPAC3-amino-2-(azocan-1-yl)propan-1-ol
SMILESNCC(CO)N1CCCCCCC1
InChIInChI=1S/C10H22N2O/c11-8-10(9-13)12-6-4-2-1-3-5-7-12/h10,13H,1-9,11H2
InChIKeyUKUOPSVNRFLOHJ-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.57
Rot. Bonds3

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

3-amino-2-(azocan-1-yl)propan-1-ol (PubChem CID 104710806) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 3-amino-2-(azocan-1-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(azocan-1-yl)propan-1-ol
PubChem CID104710806
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name3-amino-2-(azocan-1-yl)propan-1-ol
SMILESNCC(CO)N1CCCCCCC1
InChIInChI=1S/C10H22N2O/c11-8-10(9-13)12-6-4-2-1-3-5-7-12/h10,13H,1-9,11H2
InChIKeyUKUOPSVNRFLOHJ-UHFFFAOYSA-N
XLogP0.57
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(azocan-1-yl)propan-1-ol?
The IUPAC name of 3-amino-2-(azocan-1-yl)propan-1-ol (CID 104710806) is 3-amino-2-(azocan-1-yl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(azocan-1-yl)propan-1-ol?
The canonical SMILES for 3-amino-2-(azocan-1-yl)propan-1-ol is NCC(CO)N1CCCCCCC1.
What is the InChIKey of 3-amino-2-(azocan-1-yl)propan-1-ol?
The InChIKey is UKUOPSVNRFLOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c11-8-10(9-13)12-6-4-2-1-3-5-7-12/h10,13H,1-9,11H2.
What are the key properties of 3-amino-2-(azocan-1-yl)propan-1-ol?
3-amino-2-(azocan-1-yl)propan-1-ol has a molecular weight of 186.30 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(azocan-1-yl)propan-1-ol is sourced from PubChem (CID 104710806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).