1,4-oxazepan-6-amine;dihydrochloride

C5H14Cl2N2O — CID 135392997

IUPAC1,4-oxazepan-6-amine;dihydrochloride
SMILESCl.Cl.NC1CNCCOC1
InChIInChI=1S/C5H12N2O.2ClH/c6-5-3-7-1-2-8-4-5;;/h5,7H,1-4,6H2;2*1H
InChIKeyFLQQRAXNZWDDCI-UHFFFAOYSA-N
MW189.09 g/mol
LogP-0.22
Rot. Bonds

About 1,4-oxazepan-6-amine;dihydrochloride

1,4-oxazepan-6-amine;dihydrochloride (PubChem CID 135392997) has the molecular formula C5H14Cl2N2O and a molecular weight of 189.09 g/mol. Its IUPAC name is 1,4-oxazepan-6-amine;dihydrochloride.

Molecular Properties

Compound Name1,4-oxazepan-6-amine;dihydrochloride
PubChem CID135392997
Molecular FormulaC5H14Cl2N2O
Molecular Weight189.09 g/mol
Exact Mass188.05
IUPAC Name1,4-oxazepan-6-amine;dihydrochloride
SMILESCl.Cl.NC1CNCCOC1
InChIInChI=1S/C5H12N2O.2ClH/c6-5-3-7-1-2-8-4-5;;/h5,7H,1-4,6H2;2*1H
InChIKeyFLQQRAXNZWDDCI-UHFFFAOYSA-N
XLogP-0.22
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.09
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(6S)-6-methyl-1,4-oxazepane;hydrochloride
CID 172639102
cyclopropanamine;morpholine
CID 174846100
1,4-oxazepan-6-yl formate;hydrochloride
CID 175544159
6-heptyl-1,4-oxazepane
CID 155363719
(3S)-azepan-3-amine;dihydrochloride
CID 52952863
(3S)-3-[(3S)-morpholin-3-yl]morpholine
CID 11693975
oxan-3-amine
CID 5200320
3-(6-azaspiro[2.5]octan-8-yl)morpholine
CID 167222320
N-methyl-1,4-oxazepane-6-carboxamide
CID 66510045
morpholine;piperazine
CID 22665942
morpholine;ruthenium(3+)
CID 162097690
sodium morpholine
CID 21469219

Frequently Asked Questions

What is the IUPAC name of 1,4-oxazepan-6-amine;dihydrochloride?
The IUPAC name of 1,4-oxazepan-6-amine;dihydrochloride (CID 135392997) is 1,4-oxazepan-6-amine;dihydrochloride.
What is the SMILES notation for 1,4-oxazepan-6-amine;dihydrochloride?
The canonical SMILES for 1,4-oxazepan-6-amine;dihydrochloride is Cl.Cl.NC1CNCCOC1.
What is the InChIKey of 1,4-oxazepan-6-amine;dihydrochloride?
The InChIKey is FLQQRAXNZWDDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O.2ClH/c6-5-3-7-1-2-8-4-5;;/h5,7H,1-4,6H2;2*1H.
What are the key properties of 1,4-oxazepan-6-amine;dihydrochloride?
1,4-oxazepan-6-amine;dihydrochloride has a molecular weight of 189.09 g/mol, XLogP of -0.22, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-oxazepan-6-amine;dihydrochloride is sourced from PubChem (CID 135392997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).