[1-(4-aminobutan-2-yl)azepan-2-yl]methanol

C11H24N2O — CID 116634270

IUPAC[1-(4-aminobutan-2-yl)azepan-2-yl]methanol
SMILESCC(CCN)N1CCCCCC1CO
InChIInChI=1S/C11H24N2O/c1-10(6-7-12)13-8-4-2-3-5-11(13)9-14/h10-11,14H,2-9,12H2,1H3
InChIKeyYCDDLKGODYGDMK-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.96
Rot. Bonds4

About [1-(4-aminobutan-2-yl)azepan-2-yl]methanol

[1-(4-aminobutan-2-yl)azepan-2-yl]methanol (PubChem CID 116634270) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is [1-(4-aminobutan-2-yl)azepan-2-yl]methanol.

Molecular Properties

Compound Name[1-(4-aminobutan-2-yl)azepan-2-yl]methanol
PubChem CID116634270
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name[1-(4-aminobutan-2-yl)azepan-2-yl]methanol
SMILESCC(CCN)N1CCCCCC1CO
InChIInChI=1S/C11H24N2O/c1-10(6-7-12)13-8-4-2-3-5-11(13)9-14/h10-11,14H,2-9,12H2,1H3
InChIKeyYCDDLKGODYGDMK-UHFFFAOYSA-N
XLogP0.96
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(Azepan-2-yl)methanol
CID 2849412
2-(Ethylamino)-1-dodecanol
CID 57397668
(1-Ethyl-2-azepanyl)methanol
CID 2849413
Azepan-2-ylmethanol Hydrochloride
CID 6456437
[1-[2-(Aminomethyl)-3,3,3-trifluoropropyl]azepan-2-yl]methanol
CID 103366473
[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
(S)-azepan-2-ylmethanol
CID 870731
(1-Methylazepan-2-yl)methanol
CID 15563970
1-(Azepan-2-yl)ethanol
CID 23087470

Frequently Asked Questions

What is the IUPAC name of [1-(4-aminobutan-2-yl)azepan-2-yl]methanol?
The IUPAC name of [1-(4-aminobutan-2-yl)azepan-2-yl]methanol (CID 116634270) is [1-(4-aminobutan-2-yl)azepan-2-yl]methanol.
What is the SMILES notation for [1-(4-aminobutan-2-yl)azepan-2-yl]methanol?
The canonical SMILES for [1-(4-aminobutan-2-yl)azepan-2-yl]methanol is CC(CCN)N1CCCCCC1CO.
What is the InChIKey of [1-(4-aminobutan-2-yl)azepan-2-yl]methanol?
The InChIKey is YCDDLKGODYGDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-10(6-7-12)13-8-4-2-3-5-11(13)9-14/h10-11,14H,2-9,12H2,1H3.
What are the key properties of [1-(4-aminobutan-2-yl)azepan-2-yl]methanol?
[1-(4-aminobutan-2-yl)azepan-2-yl]methanol has a molecular weight of 200.33 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-aminobutan-2-yl)azepan-2-yl]methanol is sourced from PubChem (CID 116634270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).