(1-propan-2-ylazepan-2-yl)methanol

C10H21NO — CID 116637267

IUPAC(1-propan-2-ylazepan-2-yl)methanol
SMILESCC(C)N1CCCCCC1CO
InChIInChI=1S/C10H21NO/c1-9(2)11-7-5-3-4-6-10(11)8-12/h9-10,12H,3-8H2,1-2H3
InChIKeyBVXNEEAXYBWKES-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.63
Rot. Bonds2

About (1-propan-2-ylazepan-2-yl)methanol

(1-propan-2-ylazepan-2-yl)methanol (PubChem CID 116637267) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (1-propan-2-ylazepan-2-yl)methanol.

Molecular Properties

Compound Name(1-propan-2-ylazepan-2-yl)methanol
PubChem CID116637267
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(1-propan-2-ylazepan-2-yl)methanol
SMILESCC(C)N1CCCCCC1CO
InChIInChI=1S/C10H21NO/c1-9(2)11-7-5-3-4-6-10(11)8-12/h9-10,12H,3-8H2,1-2H3
InChIKeyBVXNEEAXYBWKES-UHFFFAOYSA-N
XLogP1.63
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-propan-2-ylazepan-2-yl)methanol?
The IUPAC name of (1-propan-2-ylazepan-2-yl)methanol (CID 116637267) is (1-propan-2-ylazepan-2-yl)methanol.
What is the SMILES notation for (1-propan-2-ylazepan-2-yl)methanol?
The canonical SMILES for (1-propan-2-ylazepan-2-yl)methanol is CC(C)N1CCCCCC1CO.
What is the InChIKey of (1-propan-2-ylazepan-2-yl)methanol?
The InChIKey is BVXNEEAXYBWKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-9(2)11-7-5-3-4-6-10(11)8-12/h9-10,12H,3-8H2,1-2H3.
What are the key properties of (1-propan-2-ylazepan-2-yl)methanol?
(1-propan-2-ylazepan-2-yl)methanol has a molecular weight of 171.28 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propan-2-ylazepan-2-yl)methanol is sourced from PubChem (CID 116637267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).