(4-hydroxy-1-methylazepan-4-yl)methylazanium

C8H19N2O+ — CID 146923194

IUPAC(4-hydroxy-1-methylazepan-4-yl)methylazanium
SMILESCN1CCCC(O)(C[NH3+])CC1
InChIInChI=1S/C8H18N2O/c1-10-5-2-3-8(11,7-9)4-6-10/h11H,2-7,9H2,1H3/p+1
InChIKeyADOWMJXMLSXXED-UHFFFAOYSA-O
MW159.25 g/mol
LogP-0.92
Rot. Bonds1

About (4-hydroxy-1-methylazepan-4-yl)methylazanium

(4-hydroxy-1-methylazepan-4-yl)methylazanium (PubChem CID 146923194) has the molecular formula C8H19N2O+ and a molecular weight of 159.25 g/mol. Its IUPAC name is (4-hydroxy-1-methylazepan-4-yl)methylazanium.

Molecular Properties

Compound Name(4-hydroxy-1-methylazepan-4-yl)methylazanium
PubChem CID146923194
Molecular FormulaC8H19N2O+
Molecular Weight159.25 g/mol
Exact Mass159.15
IUPAC Name(4-hydroxy-1-methylazepan-4-yl)methylazanium
SMILESCN1CCCC(O)(C[NH3+])CC1
InChIInChI=1S/C8H18N2O/c1-10-5-2-3-8(11,7-9)4-6-10/h11H,2-7,9H2,1H3/p+1
InChIKeyADOWMJXMLSXXED-UHFFFAOYSA-O
XLogP-0.92
TPSA51.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-1-methylazepan-4-yl)methylazanium?
The IUPAC name of (4-hydroxy-1-methylazepan-4-yl)methylazanium (CID 146923194) is (4-hydroxy-1-methylazepan-4-yl)methylazanium.
What is the SMILES notation for (4-hydroxy-1-methylazepan-4-yl)methylazanium?
The canonical SMILES for (4-hydroxy-1-methylazepan-4-yl)methylazanium is CN1CCCC(O)(C[NH3+])CC1.
What is the InChIKey of (4-hydroxy-1-methylazepan-4-yl)methylazanium?
The InChIKey is ADOWMJXMLSXXED-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H18N2O/c1-10-5-2-3-8(11,7-9)4-6-10/h11H,2-7,9H2,1H3/p+1.
What are the key properties of (4-hydroxy-1-methylazepan-4-yl)methylazanium?
(4-hydroxy-1-methylazepan-4-yl)methylazanium has a molecular weight of 159.25 g/mol, XLogP of -0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-1-methylazepan-4-yl)methylazanium is sourced from PubChem (CID 146923194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).