1-methyl-4-propan-2-ylazepan-4-ol

C10H21NO — CID 65074919

IUPAC1-methyl-4-propan-2-ylazepan-4-ol
SMILESCC(C)C1(O)CCCN(C)CC1
InChIInChI=1S/C10H21NO/c1-9(2)10(12)5-4-7-11(3)8-6-10/h9,12H,4-8H2,1-3H3
InChIKeyLCJJRBFGMFZKCQ-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.49
Rot. Bonds1

About 1-methyl-4-propan-2-ylazepan-4-ol

1-methyl-4-propan-2-ylazepan-4-ol (PubChem CID 65074919) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 1-methyl-4-propan-2-ylazepan-4-ol.

Molecular Properties

Compound Name1-methyl-4-propan-2-ylazepan-4-ol
PubChem CID65074919
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name1-methyl-4-propan-2-ylazepan-4-ol
SMILESCC(C)C1(O)CCCN(C)CC1
InChIInChI=1S/C10H21NO/c1-9(2)10(12)5-4-7-11(3)8-6-10/h9,12H,4-8H2,1-3H3
InChIKeyLCJJRBFGMFZKCQ-UHFFFAOYSA-N
XLogP1.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-propan-2-ylazepan-4-ol?
The IUPAC name of 1-methyl-4-propan-2-ylazepan-4-ol (CID 65074919) is 1-methyl-4-propan-2-ylazepan-4-ol.
What is the SMILES notation for 1-methyl-4-propan-2-ylazepan-4-ol?
The canonical SMILES for 1-methyl-4-propan-2-ylazepan-4-ol is CC(C)C1(O)CCCN(C)CC1.
What is the InChIKey of 1-methyl-4-propan-2-ylazepan-4-ol?
The InChIKey is LCJJRBFGMFZKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-9(2)10(12)5-4-7-11(3)8-6-10/h9,12H,4-8H2,1-3H3.
What are the key properties of 1-methyl-4-propan-2-ylazepan-4-ol?
1-methyl-4-propan-2-ylazepan-4-ol has a molecular weight of 171.28 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-propan-2-ylazepan-4-ol is sourced from PubChem (CID 65074919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).