4-(1-amino-2-methylbutan-2-yl)azepan-4-ol

C11H24N2O — CID 103983083

IUPAC4-(1-amino-2-methylbutan-2-yl)azepan-4-ol
SMILESCCC(C)(CN)C1(O)CCCNCC1
InChIInChI=1S/C11H24N2O/c1-3-10(2,9-12)11(14)5-4-7-13-8-6-11/h13-14H,3-9,12H2,1-2H3
InChIKeyRVQRPZYIISRUNU-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.87
Rot. Bonds3

About 4-(1-amino-2-methylbutan-2-yl)azepan-4-ol

4-(1-amino-2-methylbutan-2-yl)azepan-4-ol (PubChem CID 103983083) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 4-(1-amino-2-methylbutan-2-yl)azepan-4-ol.

Molecular Properties

Compound Name4-(1-amino-2-methylbutan-2-yl)azepan-4-ol
PubChem CID103983083
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name4-(1-amino-2-methylbutan-2-yl)azepan-4-ol
SMILESCCC(C)(CN)C1(O)CCCNCC1
InChIInChI=1S/C11H24N2O/c1-3-10(2,9-12)11(14)5-4-7-13-8-6-11/h13-14H,3-9,12H2,1-2H3
InChIKeyRVQRPZYIISRUNU-UHFFFAOYSA-N
XLogP0.87
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-2-methylbutan-2-yl)azepan-4-ol?
The IUPAC name of 4-(1-amino-2-methylbutan-2-yl)azepan-4-ol (CID 103983083) is 4-(1-amino-2-methylbutan-2-yl)azepan-4-ol.
What is the SMILES notation for 4-(1-amino-2-methylbutan-2-yl)azepan-4-ol?
The canonical SMILES for 4-(1-amino-2-methylbutan-2-yl)azepan-4-ol is CCC(C)(CN)C1(O)CCCNCC1.
What is the InChIKey of 4-(1-amino-2-methylbutan-2-yl)azepan-4-ol?
The InChIKey is RVQRPZYIISRUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-3-10(2,9-12)11(14)5-4-7-13-8-6-11/h13-14H,3-9,12H2,1-2H3.
What are the key properties of 4-(1-amino-2-methylbutan-2-yl)azepan-4-ol?
4-(1-amino-2-methylbutan-2-yl)azepan-4-ol has a molecular weight of 200.33 g/mol, XLogP of 0.87, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-2-methylbutan-2-yl)azepan-4-ol is sourced from PubChem (CID 103983083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).