4-(aminomethyl)-1-methylazepan-4-ol

C8H18N2O — CID 65074910

IUPAC4-(aminomethyl)-1-methylazepan-4-ol
SMILESCN1CCCC(O)(CN)CC1
InChIInChI=1S/C8H18N2O/c1-10-5-2-3-8(11,7-9)4-6-10/h11H,2-7,9H2,1H3
InChIKeyADOWMJXMLSXXED-UHFFFAOYSA-N
MW158.24 g/mol
LogP-0.21
Rot. Bonds1

About 4-(aminomethyl)-1-methylazepan-4-ol

4-(aminomethyl)-1-methylazepan-4-ol (PubChem CID 65074910) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 4-(aminomethyl)-1-methylazepan-4-ol.

Molecular Properties

Compound Name4-(aminomethyl)-1-methylazepan-4-ol
PubChem CID65074910
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name4-(aminomethyl)-1-methylazepan-4-ol
SMILESCN1CCCC(O)(CN)CC1
InChIInChI=1S/C8H18N2O/c1-10-5-2-3-8(11,7-9)4-6-10/h11H,2-7,9H2,1H3
InChIKeyADOWMJXMLSXXED-UHFFFAOYSA-N
XLogP-0.21
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-methylazepan-4-ol?
The IUPAC name of 4-(aminomethyl)-1-methylazepan-4-ol (CID 65074910) is 4-(aminomethyl)-1-methylazepan-4-ol.
What is the SMILES notation for 4-(aminomethyl)-1-methylazepan-4-ol?
The canonical SMILES for 4-(aminomethyl)-1-methylazepan-4-ol is CN1CCCC(O)(CN)CC1.
What is the InChIKey of 4-(aminomethyl)-1-methylazepan-4-ol?
The InChIKey is ADOWMJXMLSXXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-10-5-2-3-8(11,7-9)4-6-10/h11H,2-7,9H2,1H3.
What are the key properties of 4-(aminomethyl)-1-methylazepan-4-ol?
4-(aminomethyl)-1-methylazepan-4-ol has a molecular weight of 158.24 g/mol, XLogP of -0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-methylazepan-4-ol is sourced from PubChem (CID 65074910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).