5-aminoazecan-2-ol

C9H20N2O — CID 140561630

IUPAC5-aminoazecan-2-ol
SMILESNC1CCCCCNC(O)CC1
InChIInChI=1S/C9H20N2O/c10-8-4-2-1-3-7-11-9(12)6-5-8/h8-9,11-12H,1-7,10H2
InChIKeyVBCQLMZIAJQSAZ-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.58
Rot. Bonds

About 5-aminoazecan-2-ol

5-aminoazecan-2-ol (PubChem CID 140561630) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 5-aminoazecan-2-ol.

Molecular Properties

Compound Name5-aminoazecan-2-ol
PubChem CID140561630
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name5-aminoazecan-2-ol
SMILESNC1CCCCCNC(O)CC1
InChIInChI=1S/C9H20N2O/c10-8-4-2-1-3-7-11-9(12)6-5-8/h8-9,11-12H,1-7,10H2
InChIKeyVBCQLMZIAJQSAZ-UHFFFAOYSA-N
XLogP0.58
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-aminoazecan-2-ol?
The IUPAC name of 5-aminoazecan-2-ol (CID 140561630) is 5-aminoazecan-2-ol.
What is the SMILES notation for 5-aminoazecan-2-ol?
The canonical SMILES for 5-aminoazecan-2-ol is NC1CCCCCNC(O)CC1.
What is the InChIKey of 5-aminoazecan-2-ol?
The InChIKey is VBCQLMZIAJQSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c10-8-4-2-1-3-7-11-9(12)6-5-8/h8-9,11-12H,1-7,10H2.
What are the key properties of 5-aminoazecan-2-ol?
5-aminoazecan-2-ol has a molecular weight of 172.27 g/mol, XLogP of 0.58, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-aminoazecan-2-ol is sourced from PubChem (CID 140561630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).