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

C10H21NO — CID 65077624

IUPAC4-methyl-1-propan-2-ylazepan-4-ol
SMILESCC(C)N1CCCC(C)(O)CC1
InChIInChI=1S/C10H21NO/c1-9(2)11-7-4-5-10(3,12)6-8-11/h9,12H,4-8H2,1-3H3
InChIKeyHABIVTVBXDQJJI-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.63
Rot. Bonds1

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

4-methyl-1-propan-2-ylazepan-4-ol (PubChem CID 65077624) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 4-methyl-1-propan-2-ylazepan-4-ol.

Molecular Properties

Compound Name4-methyl-1-propan-2-ylazepan-4-ol
PubChem CID65077624
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name4-methyl-1-propan-2-ylazepan-4-ol
SMILESCC(C)N1CCCC(C)(O)CC1
InChIInChI=1S/C10H21NO/c1-9(2)11-7-4-5-10(3,12)6-8-11/h9,12H,4-8H2,1-3H3
InChIKeyHABIVTVBXDQJJI-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-propan-2-ylazepan-4-ol?
The IUPAC name of 4-methyl-1-propan-2-ylazepan-4-ol (CID 65077624) is 4-methyl-1-propan-2-ylazepan-4-ol.
What is the SMILES notation for 4-methyl-1-propan-2-ylazepan-4-ol?
The canonical SMILES for 4-methyl-1-propan-2-ylazepan-4-ol is CC(C)N1CCCC(C)(O)CC1.
What is the InChIKey of 4-methyl-1-propan-2-ylazepan-4-ol?
The InChIKey is HABIVTVBXDQJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-9(2)11-7-4-5-10(3,12)6-8-11/h9,12H,4-8H2,1-3H3.
What are the key properties of 4-methyl-1-propan-2-ylazepan-4-ol?
4-methyl-1-propan-2-ylazepan-4-ol has a molecular weight of 171.28 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-propan-2-ylazepan-4-ol is sourced from PubChem (CID 65077624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).