3-aminohexane-1,6-diol;azane

C6H36N8O2 — CID 173455648

IUPAC3-aminohexane-1,6-diol;azane
SMILESN.N.N.N.N.N.N.NC(CCO)CCCO
InChIInChI=1S/C6H15NO2.7H3N/c7-6(3-5-9)2-1-4-8;;;;;;;/h6,8-9H,1-5,7H2;7*1H3
InChIKeyKUIBIKIODHNIQL-UHFFFAOYSA-N
MW252.41 g/mol
LogP0.60
Rot. Bonds5

About 3-aminohexane-1,6-diol;azane

3-aminohexane-1,6-diol;azane (PubChem CID 173455648) has the molecular formula C6H36N8O2 and a molecular weight of 252.41 g/mol. Its IUPAC name is 3-aminohexane-1,6-diol;azane.

Molecular Properties

Compound Name3-aminohexane-1,6-diol;azane
PubChem CID173455648
Molecular FormulaC6H36N8O2
Molecular Weight252.41 g/mol
Exact Mass252.30
IUPAC Name3-aminohexane-1,6-diol;azane
SMILESN.N.N.N.N.N.N.NC(CCO)CCCO
InChIInChI=1S/C6H15NO2.7H3N/c7-6(3-5-9)2-1-4-8;;;;;;;/h6,8-9H,1-5,7H2;7*1H3
InChIKeyKUIBIKIODHNIQL-UHFFFAOYSA-N
XLogP0.60
TPSA311.48 Ų
H-Bond Donors10
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.41
LogP ≤ 50.60
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1010

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Related Compounds

4-aminononane-1,9-diol
CID 54004768
3-aminononan-1-ol;hydrochloride
CID 55255753
3,5-diaminopentan-1-ol;hydrobromide
CID 175509083
3-amino-5-(3-hydroxypropylamino)pentan-1-ol
CID 87783733
3-amino-6-hydroxyhexane-1-sulfonic acid
CID 54526006
4-aminopentan-1-ol;hydrochloride
CID 75212867
(2S)-2-aminobutane-1,4-diol;hydrochloride
CID 91654406
(3S)-3-aminohexan-1-ol;sulfane;hydrochloride
CID 161031770
8,8-diaminooctan-1-ol
CID 150598575
5-amino-7-hydroxyheptan-2-one
CID 175205558
4-amino-5-cyclohexylpentan-1-ol
CID 82406010
ethyl (3S)-3-amino-6-hydroxyhexanoate
CID 129027170

Frequently Asked Questions

What is the IUPAC name of 3-aminohexane-1,6-diol;azane?
The IUPAC name of 3-aminohexane-1,6-diol;azane (CID 173455648) is 3-aminohexane-1,6-diol;azane.
What is the SMILES notation for 3-aminohexane-1,6-diol;azane?
The canonical SMILES for 3-aminohexane-1,6-diol;azane is N.N.N.N.N.N.N.NC(CCO)CCCO.
What is the InChIKey of 3-aminohexane-1,6-diol;azane?
The InChIKey is KUIBIKIODHNIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2.7H3N/c7-6(3-5-9)2-1-4-8;;;;;;;/h6,8-9H,1-5,7H2;7*1H3.
What are the key properties of 3-aminohexane-1,6-diol;azane?
3-aminohexane-1,6-diol;azane has a molecular weight of 252.41 g/mol, XLogP of 0.60, 5 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminohexane-1,6-diol;azane is sourced from PubChem (CID 173455648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).