3,3-dimethyl-1-propan-2-ylazepane

C11H23N — CID 58110344

IUPAC3,3-dimethyl-1-propan-2-ylazepane
SMILESCC(C)N1CCCCC(C)(C)C1
InChIInChI=1S/C11H23N/c1-10(2)12-8-6-5-7-11(3,4)9-12/h10H,5-9H2,1-4H3
InChIKeyNMRUMSLVMDMXON-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.91
Rot. Bonds1

About 3,3-dimethyl-1-propan-2-ylazepane

3,3-dimethyl-1-propan-2-ylazepane (PubChem CID 58110344) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 3,3-dimethyl-1-propan-2-ylazepane.

Molecular Properties

Compound Name3,3-dimethyl-1-propan-2-ylazepane
PubChem CID58110344
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name3,3-dimethyl-1-propan-2-ylazepane
SMILESCC(C)N1CCCCC(C)(C)C1
InChIInChI=1S/C11H23N/c1-10(2)12-8-6-5-7-11(3,4)9-12/h10H,5-9H2,1-4H3
InChIKeyNMRUMSLVMDMXON-UHFFFAOYSA-N
XLogP2.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-propan-2-ylazepane?
The IUPAC name of 3,3-dimethyl-1-propan-2-ylazepane (CID 58110344) is 3,3-dimethyl-1-propan-2-ylazepane.
What is the SMILES notation for 3,3-dimethyl-1-propan-2-ylazepane?
The canonical SMILES for 3,3-dimethyl-1-propan-2-ylazepane is CC(C)N1CCCCC(C)(C)C1.
What is the InChIKey of 3,3-dimethyl-1-propan-2-ylazepane?
The InChIKey is NMRUMSLVMDMXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-10(2)12-8-6-5-7-11(3,4)9-12/h10H,5-9H2,1-4H3.
What are the key properties of 3,3-dimethyl-1-propan-2-ylazepane?
3,3-dimethyl-1-propan-2-ylazepane has a molecular weight of 169.31 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-propan-2-ylazepane is sourced from PubChem (CID 58110344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).