4-tert-butylazepane

C10H21N — CID 22764270

IUPAC4-tert-butylazepane
SMILESCC(C)(C)C1CCCNCC1
InChIInChI=1S/C10H21N/c1-10(2,3)9-5-4-7-11-8-6-9/h9,11H,4-8H2,1-3H3
InChIKeyLAHPNGGYIWAYMX-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.42
Rot. Bonds

About 4-tert-butylazepane

4-tert-butylazepane (PubChem CID 22764270) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is 4-tert-butylazepane.

Molecular Properties

Compound Name4-tert-butylazepane
PubChem CID22764270
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name4-tert-butylazepane
SMILESCC(C)(C)C1CCCNCC1
InChIInChI=1S/C10H21N/c1-10(2,3)9-5-4-7-11-8-6-9/h9,11H,4-8H2,1-3H3
InChIKeyLAHPNGGYIWAYMX-UHFFFAOYSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butylazepane?
The IUPAC name of 4-tert-butylazepane (CID 22764270) is 4-tert-butylazepane.
What is the SMILES notation for 4-tert-butylazepane?
The canonical SMILES for 4-tert-butylazepane is CC(C)(C)C1CCCNCC1.
What is the InChIKey of 4-tert-butylazepane?
The InChIKey is LAHPNGGYIWAYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-10(2,3)9-5-4-7-11-8-6-9/h9,11H,4-8H2,1-3H3.
What are the key properties of 4-tert-butylazepane?
4-tert-butylazepane has a molecular weight of 155.28 g/mol, XLogP of 2.42, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylazepane is sourced from PubChem (CID 22764270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).