1,5-diazocan-3-ol

C6H14N2O — CID 71359715

IUPAC1,5-diazocan-3-ol
SMILESOC1CNCCCNC1
InChIInChI=1S/C6H14N2O/c9-6-4-7-2-1-3-8-5-6/h6-9H,1-5H2
InChIKeyMUYXNXKXYREFLV-UHFFFAOYSA-N
MW130.19 g/mol
LogP-1.07
Rot. Bonds

About 1,5-diazocan-3-ol

1,5-diazocan-3-ol (PubChem CID 71359715) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is 1,5-diazocan-3-ol.

Molecular Properties

Compound Name1,5-diazocan-3-ol
PubChem CID71359715
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name1,5-diazocan-3-ol
SMILESOC1CNCCCNC1
InChIInChI=1S/C6H14N2O/c9-6-4-7-2-1-3-8-5-6/h6-9H,1-5H2
InChIKeyMUYXNXKXYREFLV-UHFFFAOYSA-N
XLogP-1.07
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 5-1.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(Aminopropyl)ethanolamine
CID 78211
1-(Ethylamino)propan-2-ol
CID 3016164
2-Propanol, 1,3-bis((2-hydroxyethyl)amino)-
CID 3039236
1-Amino-3-(4-aminobutylamino)propan-2-ol
CID 101196139
1-Amino-3-(methylamino)propan-2-ol
CID 13842461
(2S)-1-(ethylamino)propan-2-ol
CID 39234954
Hydroxynorspermidine
CID 195422
2-(3-Aminopropylamino)ethanol;hydrochloride
CID 24190756
1,3-Bis(3-aminopropylamino)propan-2-ol
CID 18689620
1-(Propylamino)propan-2-ol
CID 3806320
1-(2-Fluoroethylamino)-3-(fluoromethylamino)propan-2-ol
CID 141653218
(2R)-1-amino-3-(4-aminobutylamino)propan-2-ol
CID 156583245

Frequently Asked Questions

What is the IUPAC name of 1,5-diazocan-3-ol?
The IUPAC name of 1,5-diazocan-3-ol (CID 71359715) is 1,5-diazocan-3-ol.
What is the SMILES notation for 1,5-diazocan-3-ol?
The canonical SMILES for 1,5-diazocan-3-ol is OC1CNCCCNC1.
What is the InChIKey of 1,5-diazocan-3-ol?
The InChIKey is MUYXNXKXYREFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O/c9-6-4-7-2-1-3-8-5-6/h6-9H,1-5H2.
What are the key properties of 1,5-diazocan-3-ol?
1,5-diazocan-3-ol has a molecular weight of 130.19 g/mol, XLogP of -1.07, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diazocan-3-ol is sourced from PubChem (CID 71359715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).