(4-methylazepan-2-yl)methanol

C8H17NO — CID 142143829

IUPAC(4-methylazepan-2-yl)methanol
SMILESCC1CCCNC(CO)C1
InChIInChI=1S/C8H17NO/c1-7-3-2-4-9-8(5-7)6-10/h7-10H,2-6H2,1H3
InChIKeyVQXHFMYOEKGVSD-UHFFFAOYSA-N
MW143.23 g/mol
LogP0.76
Rot. Bonds1

About (4-methylazepan-2-yl)methanol

(4-methylazepan-2-yl)methanol (PubChem CID 142143829) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (4-methylazepan-2-yl)methanol.

Molecular Properties

Compound Name(4-methylazepan-2-yl)methanol
PubChem CID142143829
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(4-methylazepan-2-yl)methanol
SMILESCC1CCCNC(CO)C1
InChIInChI=1S/C8H17NO/c1-7-3-2-4-9-8(5-7)6-10/h7-10H,2-6H2,1H3
InChIKeyVQXHFMYOEKGVSD-UHFFFAOYSA-N
XLogP0.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-methylazepan-2-yl)methanol?
The IUPAC name of (4-methylazepan-2-yl)methanol (CID 142143829) is (4-methylazepan-2-yl)methanol.
What is the SMILES notation for (4-methylazepan-2-yl)methanol?
The canonical SMILES for (4-methylazepan-2-yl)methanol is CC1CCCNC(CO)C1.
What is the InChIKey of (4-methylazepan-2-yl)methanol?
The InChIKey is VQXHFMYOEKGVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-7-3-2-4-9-8(5-7)6-10/h7-10H,2-6H2,1H3.
What are the key properties of (4-methylazepan-2-yl)methanol?
(4-methylazepan-2-yl)methanol has a molecular weight of 143.23 g/mol, XLogP of 0.76, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylazepan-2-yl)methanol is sourced from PubChem (CID 142143829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).