(1-prop-2-ynylazepan-2-yl)methanol

C10H17NO — CID 116637134

IUPAC(1-prop-2-ynylazepan-2-yl)methanol
SMILESC#CCN1CCCCCC1CO
InChIInChI=1S/C10H17NO/c1-2-7-11-8-5-3-4-6-10(11)9-12/h1,10,12H,3-9H2
InChIKeyMSDYKEAKLXDZSV-UHFFFAOYSA-N
MW167.25 g/mol
LogP0.86
Rot. Bonds2

About (1-prop-2-ynylazepan-2-yl)methanol

(1-prop-2-ynylazepan-2-yl)methanol (PubChem CID 116637134) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (1-prop-2-ynylazepan-2-yl)methanol.

Molecular Properties

Compound Name(1-prop-2-ynylazepan-2-yl)methanol
PubChem CID116637134
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(1-prop-2-ynylazepan-2-yl)methanol
SMILESC#CCN1CCCCCC1CO
InChIInChI=1S/C10H17NO/c1-2-7-11-8-5-3-4-6-10(11)9-12/h1,10,12H,3-9H2
InChIKeyMSDYKEAKLXDZSV-UHFFFAOYSA-N
XLogP0.86
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1-prop-2-ynylazepan-2-yl)propan-2-one
CID 79560607
(1-ethylazepan-2-yl)methanol
CID 2849413
[1-(3-chloropropyl)piperidin-2-yl]methanol
CID 61407786
1-cyclopropyl-2-[2-(hydroxymethyl)azepan-1-yl]ethanone
CID 116635350
[1-(2-cyclohexylethyl)azepan-2-yl]methanol
CID 114192428
1-prop-2-ynylazepane-2-carboxylic acid
CID 64563153
2-(2-methylpropyl)-1-prop-2-ynylpyrrolidine
CID 131200239
3-[2-(hydroxymethyl)piperidin-1-yl]propan-1-ol;hydrobromide
CID 21144774
2-[[2-(hydroxymethyl)azepan-1-yl]methyl]cyclohexan-1-ol
CID 116638244
[1-[2-(chloromethyl)prop-2-enyl]azepan-2-yl]methanol
CID 103067978
4-[2-(hydroxymethyl)azepan-1-yl]butan-2-ol
CID 116636768
[(2R)-1-(cyclopentylmethyl)pyrrolidin-2-yl]methanol
CID 62736578

Frequently Asked Questions

What is the IUPAC name of (1-prop-2-ynylazepan-2-yl)methanol?
The IUPAC name of (1-prop-2-ynylazepan-2-yl)methanol (CID 116637134) is (1-prop-2-ynylazepan-2-yl)methanol.
What is the SMILES notation for (1-prop-2-ynylazepan-2-yl)methanol?
The canonical SMILES for (1-prop-2-ynylazepan-2-yl)methanol is C#CCN1CCCCCC1CO.
What is the InChIKey of (1-prop-2-ynylazepan-2-yl)methanol?
The InChIKey is MSDYKEAKLXDZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-2-7-11-8-5-3-4-6-10(11)9-12/h1,10,12H,3-9H2.
What are the key properties of (1-prop-2-ynylazepan-2-yl)methanol?
(1-prop-2-ynylazepan-2-yl)methanol has a molecular weight of 167.25 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-prop-2-ynylazepan-2-yl)methanol is sourced from PubChem (CID 116637134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).