4-[2-(aminomethyl)azepan-1-yl]butan-1-ol

C11H24N2O — CID 116640497

IUPAC4-[2-(aminomethyl)azepan-1-yl]butan-1-ol
SMILESNCC1CCCCCN1CCCCO
InChIInChI=1S/C11H24N2O/c12-10-11-6-2-1-3-7-13(11)8-4-5-9-14/h11,14H,1-10,12H2
InChIKeyLXFMYYXFYGIEQW-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.96
Rot. Bonds5

About 4-[2-(aminomethyl)azepan-1-yl]butan-1-ol

4-[2-(aminomethyl)azepan-1-yl]butan-1-ol (PubChem CID 116640497) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 4-[2-(aminomethyl)azepan-1-yl]butan-1-ol.

Molecular Properties

Compound Name4-[2-(aminomethyl)azepan-1-yl]butan-1-ol
PubChem CID116640497
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name4-[2-(aminomethyl)azepan-1-yl]butan-1-ol
SMILESNCC1CCCCCN1CCCCO
InChIInChI=1S/C11H24N2O/c12-10-11-6-2-1-3-7-13(11)8-4-5-9-14/h11,14H,1-10,12H2
InChIKeyLXFMYYXFYGIEQW-UHFFFAOYSA-N
XLogP0.96
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1-dodecylazepan-2-yl)methanamine
CID 116640397
(1-butylazepan-2-yl)methanamine
CID 116640391
4-(2-ethylpiperidin-1-yl)butan-1-ol
CID 43509675
6-[2-(2-hydroxyethyl)piperidin-1-yl]hexan-1-ol
CID 103737919
(1-dodecylpiperidin-2-yl)methanamine
CID 63405140
[1-(3-pyrrolidin-1-ylpropyl)piperidin-2-yl]methanamine
CID 61493948
[1-(4-methoxybutyl)piperidin-2-yl]methanamine
CID 115741337
3-[2-(hydroxymethyl)piperidin-1-yl]propan-1-ol;hydrobromide
CID 21144774
[(2S)-1-(2-cyclohexylethyl)piperidin-2-yl]methanamine
CID 97052114
3-[2-(fluoromethyl)piperidin-1-yl]propan-1-ol
CID 67281164
[1-(2-cyclopropylethyl)azepan-2-yl]methanamine
CID 116640428
(1-nonylpyrrolidin-2-yl)methanamine
CID 19780174

Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)azepan-1-yl]butan-1-ol?
The IUPAC name of 4-[2-(aminomethyl)azepan-1-yl]butan-1-ol (CID 116640497) is 4-[2-(aminomethyl)azepan-1-yl]butan-1-ol.
What is the SMILES notation for 4-[2-(aminomethyl)azepan-1-yl]butan-1-ol?
The canonical SMILES for 4-[2-(aminomethyl)azepan-1-yl]butan-1-ol is NCC1CCCCCN1CCCCO.
What is the InChIKey of 4-[2-(aminomethyl)azepan-1-yl]butan-1-ol?
The InChIKey is LXFMYYXFYGIEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c12-10-11-6-2-1-3-7-13(11)8-4-5-9-14/h11,14H,1-10,12H2.
What are the key properties of 4-[2-(aminomethyl)azepan-1-yl]butan-1-ol?
4-[2-(aminomethyl)azepan-1-yl]butan-1-ol has a molecular weight of 200.33 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)azepan-1-yl]butan-1-ol is sourced from PubChem (CID 116640497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).