6-amino-1-benzylazepan-3-ol

C13H20N2O — CID 83486567

IUPAC6-amino-1-benzylazepan-3-ol
SMILESNC1CCC(O)CN(Cc2ccccc2)C1
InChIInChI=1S/C13H20N2O/c14-12-6-7-13(16)10-15(9-12)8-11-4-2-1-3-5-11/h1-5,12-13,16H,6-10,14H2
InChIKeyYYEFKLSDUSRYHD-UHFFFAOYSA-N
MW220.32 g/mol
LogP0.97
Rot. Bonds2

About 6-amino-1-benzylazepan-3-ol

6-amino-1-benzylazepan-3-ol (PubChem CID 83486567) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 6-amino-1-benzylazepan-3-ol.

Molecular Properties

Compound Name6-amino-1-benzylazepan-3-ol
PubChem CID83486567
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name6-amino-1-benzylazepan-3-ol
SMILESNC1CCC(O)CN(Cc2ccccc2)C1
InChIInChI=1S/C13H20N2O/c14-12-6-7-13(16)10-15(9-12)8-11-4-2-1-3-5-11/h1-5,12-13,16H,6-10,14H2
InChIKeyYYEFKLSDUSRYHD-UHFFFAOYSA-N
XLogP0.97
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-benzylazepan-3-ol
CID 124585423
1-benzylazepane-3,4,5,6-tetrol
CID 18417354
(3S,4R,5R,6S)-1-benzylazepane-3,4,5,6-tetrol
CID 10824756
(1S,5S)-3-benzyl-3-azabicyclo[3.2.1]octan-8-ol
CID 24823154
1-benzylpyrrolidine-3,4-diamine;cyclobutane-1,2-diamine;cyclopropane-1,2-diamine
CID 158227606
(3R,5R)-1-benzyl-5-phenylpiperidin-3-ol
CID 12900714
3-benzyl-3-azabicyclo[3.2.0]heptane
CID 70581599
(3S,4R)-4-amino-1-benzylpiperidin-3-ol;hydrochloride
CID 67227523
(3R,4R)-4-amino-1-benzylpiperidin-3-ol;dihydrochloride
CID 163338239
1-[(4-phenylphenyl)methyl]pyrrolidin-3-amine
CID 62068870
1-benzyl-5-fluoropiperidin-3-ol;ethane
CID 156839971
(3S,5R)-1-benzyl-3,5-dimethylpiperidin-4-amine
CID 92979356

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-benzylazepan-3-ol?
The IUPAC name of 6-amino-1-benzylazepan-3-ol (CID 83486567) is 6-amino-1-benzylazepan-3-ol.
What is the SMILES notation for 6-amino-1-benzylazepan-3-ol?
The canonical SMILES for 6-amino-1-benzylazepan-3-ol is NC1CCC(O)CN(Cc2ccccc2)C1.
What is the InChIKey of 6-amino-1-benzylazepan-3-ol?
The InChIKey is YYEFKLSDUSRYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c14-12-6-7-13(16)10-15(9-12)8-11-4-2-1-3-5-11/h1-5,12-13,16H,6-10,14H2.
What are the key properties of 6-amino-1-benzylazepan-3-ol?
6-amino-1-benzylazepan-3-ol has a molecular weight of 220.32 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-benzylazepan-3-ol is sourced from PubChem (CID 83486567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).