2-butan-2-ylazepane

C10H21N — CID 3348606

IUPAC2-butan-2-ylazepane
SMILESCCC(C)C1CCCCCN1
InChIInChI=1S/C10H21N/c1-3-9(2)10-7-5-4-6-8-11-10/h9-11H,3-8H2,1-2H3
InChIKeyRVNJUGRFARGTEZ-UHFFFAOYSA-N
MW155.29 g/mol
LogP2.56
Rot. Bonds2

About 2-butan-2-ylazepane

2-butan-2-ylazepane (PubChem CID 3348606) has the molecular formula C10H21N and a molecular weight of 155.29 g/mol. Its IUPAC name is 2-butan-2-ylazepane.

Molecular Properties

Compound Name2-butan-2-ylazepane
PubChem CID3348606
Molecular FormulaC10H21N
Molecular Weight155.29 g/mol
Exact Mass155.17
IUPAC Name2-butan-2-ylazepane
SMILESCCC(C)C1CCCCCN1
InChIInChI=1S/C10H21N/c1-3-9(2)10-7-5-4-6-8-11-10/h9-11H,3-8H2,1-2H3
InChIKeyRVNJUGRFARGTEZ-UHFFFAOYSA-N
XLogP2.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.29
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylazepane?
The IUPAC name of 2-butan-2-ylazepane (CID 3348606) is 2-butan-2-ylazepane.
What is the SMILES notation for 2-butan-2-ylazepane?
The canonical SMILES for 2-butan-2-ylazepane is CCC(C)C1CCCCCN1.
What is the InChIKey of 2-butan-2-ylazepane?
The InChIKey is RVNJUGRFARGTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-3-9(2)10-7-5-4-6-8-11-10/h9-11H,3-8H2,1-2H3.
What are the key properties of 2-butan-2-ylazepane?
2-butan-2-ylazepane has a molecular weight of 155.29 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylazepane is sourced from PubChem (CID 3348606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).