3,7-dimethyl-1-propan-2-ylazepan-3-ol

C11H23NO — CID 178173478

IUPAC3,7-dimethyl-1-propan-2-ylazepan-3-ol
SMILESCC(C)N1CC(C)(O)CCCC1C
InChIInChI=1S/C11H23NO/c1-9(2)12-8-11(4,13)7-5-6-10(12)3/h9-10,13H,5-8H2,1-4H3
InChIKeyMQMQMZGSWIDUJD-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.02
Rot. Bonds1

About 3,7-dimethyl-1-propan-2-ylazepan-3-ol

3,7-dimethyl-1-propan-2-ylazepan-3-ol (PubChem CID 178173478) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 3,7-dimethyl-1-propan-2-ylazepan-3-ol.

Molecular Properties

Compound Name3,7-dimethyl-1-propan-2-ylazepan-3-ol
PubChem CID178173478
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name3,7-dimethyl-1-propan-2-ylazepan-3-ol
SMILESCC(C)N1CC(C)(O)CCCC1C
InChIInChI=1S/C11H23NO/c1-9(2)12-8-11(4,13)7-5-6-10(12)3/h9-10,13H,5-8H2,1-4H3
InChIKeyMQMQMZGSWIDUJD-UHFFFAOYSA-N
XLogP2.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-1-propan-2-ylazepan-3-ol?
The IUPAC name of 3,7-dimethyl-1-propan-2-ylazepan-3-ol (CID 178173478) is 3,7-dimethyl-1-propan-2-ylazepan-3-ol.
What is the SMILES notation for 3,7-dimethyl-1-propan-2-ylazepan-3-ol?
The canonical SMILES for 3,7-dimethyl-1-propan-2-ylazepan-3-ol is CC(C)N1CC(C)(O)CCCC1C.
What is the InChIKey of 3,7-dimethyl-1-propan-2-ylazepan-3-ol?
The InChIKey is MQMQMZGSWIDUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-9(2)12-8-11(4,13)7-5-6-10(12)3/h9-10,13H,5-8H2,1-4H3.
What are the key properties of 3,7-dimethyl-1-propan-2-ylazepan-3-ol?
3,7-dimethyl-1-propan-2-ylazepan-3-ol has a molecular weight of 185.31 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-1-propan-2-ylazepan-3-ol is sourced from PubChem (CID 178173478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).