1-aminoazepane-3,6-diol

C6H14N2O2 — CID 144890831

IUPAC1-aminoazepane-3,6-diol
SMILESNN1CC(O)CCC(O)C1
InChIInChI=1S/C6H14N2O2/c7-8-3-5(9)1-2-6(10)4-8/h5-6,9-10H,1-4,7H2
InChIKeyYMDRHDRXQVXHPI-UHFFFAOYSA-N
MW146.19 g/mol
LogP-1.32
Rot. Bonds

About 1-aminoazepane-3,6-diol

1-aminoazepane-3,6-diol (PubChem CID 144890831) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 1-aminoazepane-3,6-diol.

Molecular Properties

Compound Name1-aminoazepane-3,6-diol
PubChem CID144890831
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Name1-aminoazepane-3,6-diol
SMILESNN1CC(O)CCC(O)C1
InChIInChI=1S/C6H14N2O2/c7-8-3-5(9)1-2-6(10)4-8/h5-6,9-10H,1-4,7H2
InChIKeyYMDRHDRXQVXHPI-UHFFFAOYSA-N
XLogP-1.32
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-1.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

(3S,5S)-1-amino-5-methylpiperidin-3-ol
CID 134534794
cyclohexane-1,4-diol
CID 11162
1-amino-1,3-diazinan-5-ol
CID 146411797
cyclohexane-1,4-diol;hydrochloride
CID 141062883
1,6-dimethylpiperidin-3-ol;ethane
CID 170766589
1,6-dimethylazepan-3-ol
CID 118230247
4-amino(1,2,3,4,5,6-13C6)cyclohexan-1-ol
CID 172990620
(3R)-1-phosphanylpyrrolidin-3-ol
CID 59502132
8-methyl-3-azabicyclo[3.2.1]octan-3-amine
CID 135226676
1-ethylpyrrolidin-3-ol;hydrochloride
CID 174666123
(3S,4R)-1-amino-3-methylpiperidin-4-ol
CID 129445696
(3S)-3-hydroxypyrrolidine-1-carboxamide;hydrochloride
CID 173100339

Frequently Asked Questions

What is the IUPAC name of 1-aminoazepane-3,6-diol?
The IUPAC name of 1-aminoazepane-3,6-diol (CID 144890831) is 1-aminoazepane-3,6-diol.
What is the SMILES notation for 1-aminoazepane-3,6-diol?
The canonical SMILES for 1-aminoazepane-3,6-diol is NN1CC(O)CCC(O)C1.
What is the InChIKey of 1-aminoazepane-3,6-diol?
The InChIKey is YMDRHDRXQVXHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2/c7-8-3-5(9)1-2-6(10)4-8/h5-6,9-10H,1-4,7H2.
What are the key properties of 1-aminoazepane-3,6-diol?
1-aminoazepane-3,6-diol has a molecular weight of 146.19 g/mol, XLogP of -1.32, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminoazepane-3,6-diol is sourced from PubChem (CID 144890831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).