[1-(3-amino-2-methylpropyl)azepan-2-yl]methanol

C11H24N2O — CID 116634267

IUPAC[1-(3-amino-2-methylpropyl)azepan-2-yl]methanol
SMILESCC(CN)CN1CCCCCC1CO
InChIInChI=1S/C11H24N2O/c1-10(7-12)8-13-6-4-2-3-5-11(13)9-14/h10-11,14H,2-9,12H2,1H3
InChIKeyZGDHZOUSILTYOR-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.82
Rot. Bonds4

About [1-(3-amino-2-methylpropyl)azepan-2-yl]methanol

[1-(3-amino-2-methylpropyl)azepan-2-yl]methanol (PubChem CID 116634267) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is [1-(3-amino-2-methylpropyl)azepan-2-yl]methanol.

Molecular Properties

Compound Name[1-(3-amino-2-methylpropyl)azepan-2-yl]methanol
PubChem CID116634267
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name[1-(3-amino-2-methylpropyl)azepan-2-yl]methanol
SMILESCC(CN)CN1CCCCCC1CO
InChIInChI=1S/C11H24N2O/c1-10(7-12)8-13-6-4-2-3-5-11(13)9-14/h10-11,14H,2-9,12H2,1H3
InChIKeyZGDHZOUSILTYOR-UHFFFAOYSA-N
XLogP0.82
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 ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1-Ethyl-2-azepanyl)methanol
CID 2849413
[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-(4-Amino-1,1,1-trifluorobutan-2-yl)azepan-2-yl]methanol
CID 116634298
(1-Methylazepan-2-yl)methanol
CID 15563970
6-Amino-2-(2-methylpropylamino)hexan-1-ol
CID 87434343
(1-Propan-2-ylazepan-2-yl)methanol
CID 116637267
2-[Ethyl(hydroxymethyl)amino]-7-(methylamino)heptan-1-ol
CID 132126375
(3S,4S,7R)-4-amino-7-methyl-1-propylazepan-3-ol
CID 141043572
(4-Methylazepan-2-yl)methanol
CID 142143829
2-(4-Aminoazepan-1-yl)ethanol;ethane
CID 143651485

Frequently Asked Questions

What is the IUPAC name of [1-(3-amino-2-methylpropyl)azepan-2-yl]methanol?
The IUPAC name of [1-(3-amino-2-methylpropyl)azepan-2-yl]methanol (CID 116634267) is [1-(3-amino-2-methylpropyl)azepan-2-yl]methanol.
What is the SMILES notation for [1-(3-amino-2-methylpropyl)azepan-2-yl]methanol?
The canonical SMILES for [1-(3-amino-2-methylpropyl)azepan-2-yl]methanol is CC(CN)CN1CCCCCC1CO.
What is the InChIKey of [1-(3-amino-2-methylpropyl)azepan-2-yl]methanol?
The InChIKey is ZGDHZOUSILTYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-10(7-12)8-13-6-4-2-3-5-11(13)9-14/h10-11,14H,2-9,12H2,1H3.
What are the key properties of [1-(3-amino-2-methylpropyl)azepan-2-yl]methanol?
[1-(3-amino-2-methylpropyl)azepan-2-yl]methanol has a molecular weight of 200.33 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-amino-2-methylpropyl)azepan-2-yl]methanol is sourced from PubChem (CID 116634267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).