[1-(2-aminoethyl)azepan-2-yl]methanol

C9H20N2O — CID 116634224

IUPAC[1-(2-aminoethyl)azepan-2-yl]methanol
SMILESNCCN1CCCCCC1CO
InChIInChI=1S/C9H20N2O/c10-5-7-11-6-3-1-2-4-9(11)8-12/h9,12H,1-8,10H2
InChIKeyJVNCZQPRNIRYPP-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.18
Rot. Bonds3

About [1-(2-aminoethyl)azepan-2-yl]methanol

[1-(2-aminoethyl)azepan-2-yl]methanol (PubChem CID 116634224) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is [1-(2-aminoethyl)azepan-2-yl]methanol.

Molecular Properties

Compound Name[1-(2-aminoethyl)azepan-2-yl]methanol
PubChem CID116634224
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name[1-(2-aminoethyl)azepan-2-yl]methanol
SMILESNCCN1CCCCCC1CO
InChIInChI=1S/C9H20N2O/c10-5-7-11-6-3-1-2-4-9(11)8-12/h9,12H,1-8,10H2
InChIKeyJVNCZQPRNIRYPP-UHFFFAOYSA-N
XLogP0.18
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(Azepan-2-yl)methanol
CID 2849412
Azepan-2-ylmethanol Hydrochloride
CID 6456437
2-[2-[[(2S)-1-(azepan-1-yl)propan-2-yl]amino]ethyl-methylamino]ethanol
CID 171359705
[1-(3-Amino-1,1,1-trifluorobutan-2-yl)azepan-2-yl]methanol
CID 116634120
[1-(3-Amino-1,1,1-trifluoropentan-2-yl)azepan-2-yl]methanol
CID 116634245
[1-(3-Amino-1,1,1-trifluoropropan-2-yl)azepan-2-yl]methanol
CID 116634251
[1-(4-Amino-1,1,1-trifluorobutan-2-yl)azepan-2-yl]methanol
CID 116634298
1,8-Diazabicyclo[5,4,0]undecan-7-ol
CID 541962
(S)-azepan-2-ylmethanol
CID 870731
[1-(2-Aminoethyl)piperidin-2-yl]methanol
CID 4712031
(2R,3S)-3-aminoazepan-2-ol
CID 57612747
3-Aminoazepan-2-ol
CID 76625656

Frequently Asked Questions

What is the IUPAC name of [1-(2-aminoethyl)azepan-2-yl]methanol?
The IUPAC name of [1-(2-aminoethyl)azepan-2-yl]methanol (CID 116634224) is [1-(2-aminoethyl)azepan-2-yl]methanol.
What is the SMILES notation for [1-(2-aminoethyl)azepan-2-yl]methanol?
The canonical SMILES for [1-(2-aminoethyl)azepan-2-yl]methanol is NCCN1CCCCCC1CO.
What is the InChIKey of [1-(2-aminoethyl)azepan-2-yl]methanol?
The InChIKey is JVNCZQPRNIRYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c10-5-7-11-6-3-1-2-4-9(11)8-12/h9,12H,1-8,10H2.
What are the key properties of [1-(2-aminoethyl)azepan-2-yl]methanol?
[1-(2-aminoethyl)azepan-2-yl]methanol has a molecular weight of 172.27 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-aminoethyl)azepan-2-yl]methanol is sourced from PubChem (CID 116634224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).