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

C11H24N2O — CID 64820966

IUPAC1-amino-4-(azepan-1-yl)-2-methylbutan-2-ol
SMILESCC(O)(CN)CCN1CCCCCC1
InChIInChI=1S/C11H24N2O/c1-11(14,10-12)6-9-13-7-4-2-3-5-8-13/h14H,2-10,12H2,1H3
InChIKeyLDEQRTUTFOHESK-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.96
Rot. Bonds4

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

1-amino-4-(azepan-1-yl)-2-methylbutan-2-ol (PubChem CID 64820966) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 1-amino-4-(azepan-1-yl)-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-amino-4-(azepan-1-yl)-2-methylbutan-2-ol
PubChem CID64820966
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name1-amino-4-(azepan-1-yl)-2-methylbutan-2-ol
SMILESCC(O)(CN)CCN1CCCCCC1
InChIInChI=1S/C11H24N2O/c1-11(14,10-12)6-9-13-7-4-2-3-5-8-13/h14H,2-10,12H2,1H3
InChIKeyLDEQRTUTFOHESK-UHFFFAOYSA-N
XLogP0.96
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(azepan-1-yl)-2-methylbutan-2-ol?
The IUPAC name of 1-amino-4-(azepan-1-yl)-2-methylbutan-2-ol (CID 64820966) is 1-amino-4-(azepan-1-yl)-2-methylbutan-2-ol.
What is the SMILES notation for 1-amino-4-(azepan-1-yl)-2-methylbutan-2-ol?
The canonical SMILES for 1-amino-4-(azepan-1-yl)-2-methylbutan-2-ol is CC(O)(CN)CCN1CCCCCC1.
What is the InChIKey of 1-amino-4-(azepan-1-yl)-2-methylbutan-2-ol?
The InChIKey is LDEQRTUTFOHESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-11(14,10-12)6-9-13-7-4-2-3-5-8-13/h14H,2-10,12H2,1H3.
What are the key properties of 1-amino-4-(azepan-1-yl)-2-methylbutan-2-ol?
1-amino-4-(azepan-1-yl)-2-methylbutan-2-ol has a molecular weight of 200.33 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(azepan-1-yl)-2-methylbutan-2-ol is sourced from PubChem (CID 64820966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).