1-(methylamino)azepan-4-ol

C7H16N2O — CID 167227083

IUPAC1-(methylamino)azepan-4-ol
SMILESCNN1CCCC(O)CC1
InChIInChI=1S/C7H16N2O/c1-8-9-5-2-3-7(10)4-6-9/h7-8,10H,2-6H2,1H3
InChIKeyCUCYWIQDPRNHBE-UHFFFAOYSA-N
MW144.22 g/mol
LogP-0.03
Rot. Bonds1

About 1-(methylamino)azepan-4-ol

1-(methylamino)azepan-4-ol (PubChem CID 167227083) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is 1-(methylamino)azepan-4-ol.

Molecular Properties

Compound Name1-(methylamino)azepan-4-ol
PubChem CID167227083
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name1-(methylamino)azepan-4-ol
SMILESCNN1CCCC(O)CC1
InChIInChI=1S/C7H16N2O/c1-8-9-5-2-3-7(10)4-6-9/h7-8,10H,2-6H2,1H3
InChIKeyCUCYWIQDPRNHBE-UHFFFAOYSA-N
XLogP-0.03
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-1-methylazepan-4-ol
CID 29414429
(4S)-1-methylazepan-4-ol;hydrochloride
CID 175654046
1-hydroxyazepan-4-ol
CID 57473453
(4R)-1-(2-methylpropyl)azepan-4-ol
CID 171753262
1-(methylamino)piperidine-4-carboxylic acid;hydrochloride
CID 141414728
1-tert-butylazocan-5-ol
CID 137410769
N-(4-hydroxypiperidin-1-yl)formamide
CID 68829177
methyl 2-(4-hydroxyazepan-1-yl)-2-oxoacetate
CID 131203873
cyclohexanol;methanol
CID 18353815
4-hydroxyazepane-1-carbonitrile
CID 131020835
1-methylpiperidin-4-ol;trihydrochloride
CID 142686130
1-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)azepan-4-ol
CID 131923534

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)azepan-4-ol?
The IUPAC name of 1-(methylamino)azepan-4-ol (CID 167227083) is 1-(methylamino)azepan-4-ol.
What is the SMILES notation for 1-(methylamino)azepan-4-ol?
The canonical SMILES for 1-(methylamino)azepan-4-ol is CNN1CCCC(O)CC1.
What is the InChIKey of 1-(methylamino)azepan-4-ol?
The InChIKey is CUCYWIQDPRNHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-8-9-5-2-3-7(10)4-6-9/h7-8,10H,2-6H2,1H3.
What are the key properties of 1-(methylamino)azepan-4-ol?
1-(methylamino)azepan-4-ol has a molecular weight of 144.22 g/mol, XLogP of -0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)azepan-4-ol is sourced from PubChem (CID 167227083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).