[1-(3-aminobutan-2-yl)azepan-4-yl]methanol

C11H24N2O — CID 130671113

IUPAC[1-(3-aminobutan-2-yl)azepan-4-yl]methanol
SMILESCC(N)C(C)N1CCCC(CO)CC1
InChIInChI=1S/C11H24N2O/c1-9(12)10(2)13-6-3-4-11(8-14)5-7-13/h9-11,14H,3-8,12H2,1-2H3
InChIKeyHWUHTEJTMIJIDO-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.82
Rot. Bonds3

About [1-(3-aminobutan-2-yl)azepan-4-yl]methanol

[1-(3-aminobutan-2-yl)azepan-4-yl]methanol (PubChem CID 130671113) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is [1-(3-aminobutan-2-yl)azepan-4-yl]methanol.

Molecular Properties

Compound Name[1-(3-aminobutan-2-yl)azepan-4-yl]methanol
PubChem CID130671113
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name[1-(3-aminobutan-2-yl)azepan-4-yl]methanol
SMILESCC(N)C(C)N1CCCC(CO)CC1
InChIInChI=1S/C11H24N2O/c1-9(12)10(2)13-6-3-4-11(8-14)5-7-13/h9-11,14H,3-8,12H2,1-2H3
InChIKeyHWUHTEJTMIJIDO-UHFFFAOYSA-N
XLogP0.82
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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

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3-(1-propan-2-ylazepan-4-yl)propan-1-ol
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[1-[(2S)-2-aminopropyl]piperidin-4-yl]methanol
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(1-propan-2-ylpyrrolidin-3-yl)methanol
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[1-(2-amino-1-thiophen-2-ylpropyl)piperidin-3-yl]methanol
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2-[4-(hydroxymethyl)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 60769000
2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
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3-[4-(hydroxymethyl)piperidin-1-yl]butanoic acid
CID 43537431
3-[4-(hydroxymethyl)piperidin-1-yl]butanenitrile
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CID 107443355

Frequently Asked Questions

What is the IUPAC name of [1-(3-aminobutan-2-yl)azepan-4-yl]methanol?
The IUPAC name of [1-(3-aminobutan-2-yl)azepan-4-yl]methanol (CID 130671113) is [1-(3-aminobutan-2-yl)azepan-4-yl]methanol.
What is the SMILES notation for [1-(3-aminobutan-2-yl)azepan-4-yl]methanol?
The canonical SMILES for [1-(3-aminobutan-2-yl)azepan-4-yl]methanol is CC(N)C(C)N1CCCC(CO)CC1.
What is the InChIKey of [1-(3-aminobutan-2-yl)azepan-4-yl]methanol?
The InChIKey is HWUHTEJTMIJIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-9(12)10(2)13-6-3-4-11(8-14)5-7-13/h9-11,14H,3-8,12H2,1-2H3.
What are the key properties of [1-(3-aminobutan-2-yl)azepan-4-yl]methanol?
[1-(3-aminobutan-2-yl)azepan-4-yl]methanol has a molecular weight of 200.33 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-aminobutan-2-yl)azepan-4-yl]methanol is sourced from PubChem (CID 130671113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).