(6S,7S)-7-amino-1,4-diazocan-6-ol

C6H15N3O — CID 59071597

IUPAC(6S,7S)-7-amino-1,4-diazocan-6-ol
SMILESN[C@@H]1CNCCNC[C@@H]1O
InChIInChI=1S/C6H15N3O/c7-5-3-8-1-2-9-4-6(5)10/h5-6,8-10H,1-4,7H2/t5-,6+/m1/s1
InChIKeyVAKRTGNZAOCGKG-RITPCOANSA-N
MW145.21 g/mol
LogP-2.13
Rot. Bonds

About (6S,7S)-7-amino-1,4-diazocan-6-ol

(6S,7S)-7-amino-1,4-diazocan-6-ol (PubChem CID 59071597) has the molecular formula C6H15N3O and a molecular weight of 145.21 g/mol. Its IUPAC name is (6S,7S)-7-amino-1,4-diazocan-6-ol.

Molecular Properties

Compound Name(6S,7S)-7-amino-1,4-diazocan-6-ol
PubChem CID59071597
Molecular FormulaC6H15N3O
Molecular Weight145.21 g/mol
Exact Mass145.12
IUPAC Name(6S,7S)-7-amino-1,4-diazocan-6-ol
SMILESN[C@@H]1CNCCNC[C@@H]1O
InChIInChI=1S/C6H15N3O/c7-5-3-8-1-2-9-4-6(5)10/h5-6,8-10H,1-4,7H2/t5-,6+/m1/s1
InChIKeyVAKRTGNZAOCGKG-RITPCOANSA-N
XLogP-2.13
TPSA70.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.21
LogP ≤ 5-2.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 10725920
4-aminopiperidin-3-ol
CID 54373786
(3R)-3-aminopiperidin-4-ol
CID 52917019
(3R,4R)-4-aminopiperidin-3-ol;dihydrochloride
CID 154804814
(3S,4S)-3-aminopiperidin-4-ol;dihydrochloride
CID 171370179
(3R,4S,5R,6R)-6-aminoazepane-3,4,5-triol
CID 139845790
(3R,4R)-4-aminopyrrolidin-3-ol;tert-butyl formate
CID 174893952
(3S,4S)-4-ethylpiperidin-3-ol
CID 96732602
4-prop-2-enylpiperidin-3-ol
CID 89139617
(3R,4S)-4-(hydroxymethyl)pyrrolidin-3-ol;hydrochloride
CID 121229170
(3S,4R)-4-fluoropiperidin-3-amine
CID 97053659
2-[(3R,4R)-4-hydroxypyrrolidin-3-yl]acetamide
CID 91590285

Frequently Asked Questions

What is the IUPAC name of (6S,7S)-7-amino-1,4-diazocan-6-ol?
The IUPAC name of (6S,7S)-7-amino-1,4-diazocan-6-ol (CID 59071597) is (6S,7S)-7-amino-1,4-diazocan-6-ol.
What is the SMILES notation for (6S,7S)-7-amino-1,4-diazocan-6-ol?
The canonical SMILES for (6S,7S)-7-amino-1,4-diazocan-6-ol is N[C@@H]1CNCCNC[C@@H]1O.
What is the InChIKey of (6S,7S)-7-amino-1,4-diazocan-6-ol?
The InChIKey is VAKRTGNZAOCGKG-RITPCOANSA-N. The full InChI is InChI=1S/C6H15N3O/c7-5-3-8-1-2-9-4-6(5)10/h5-6,8-10H,1-4,7H2/t5-,6+/m1/s1.
What are the key properties of (6S,7S)-7-amino-1,4-diazocan-6-ol?
(6S,7S)-7-amino-1,4-diazocan-6-ol has a molecular weight of 145.21 g/mol, XLogP of -2.13, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7S)-7-amino-1,4-diazocan-6-ol is sourced from PubChem (CID 59071597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).