1,4-dimethyl-4-propan-2-ylazepane

C11H23N — CID 91322463

IUPAC1,4-dimethyl-4-propan-2-ylazepane
SMILESCC(C)C1(C)CCCN(C)CC1
InChIInChI=1S/C11H23N/c1-10(2)11(3)6-5-8-12(4)9-7-11/h10H,5-9H2,1-4H3
InChIKeyXBTYSADCVRRAQT-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.76
Rot. Bonds1

About 1,4-dimethyl-4-propan-2-ylazepane

1,4-dimethyl-4-propan-2-ylazepane (PubChem CID 91322463) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 1,4-dimethyl-4-propan-2-ylazepane.

Molecular Properties

Compound Name1,4-dimethyl-4-propan-2-ylazepane
PubChem CID91322463
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name1,4-dimethyl-4-propan-2-ylazepane
SMILESCC(C)C1(C)CCCN(C)CC1
InChIInChI=1S/C11H23N/c1-10(2)11(3)6-5-8-12(4)9-7-11/h10H,5-9H2,1-4H3
InChIKeyXBTYSADCVRRAQT-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-4-propan-2-ylazepane?
The IUPAC name of 1,4-dimethyl-4-propan-2-ylazepane (CID 91322463) is 1,4-dimethyl-4-propan-2-ylazepane.
What is the SMILES notation for 1,4-dimethyl-4-propan-2-ylazepane?
The canonical SMILES for 1,4-dimethyl-4-propan-2-ylazepane is CC(C)C1(C)CCCN(C)CC1.
What is the InChIKey of 1,4-dimethyl-4-propan-2-ylazepane?
The InChIKey is XBTYSADCVRRAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-10(2)11(3)6-5-8-12(4)9-7-11/h10H,5-9H2,1-4H3.
What are the key properties of 1,4-dimethyl-4-propan-2-ylazepane?
1,4-dimethyl-4-propan-2-ylazepane has a molecular weight of 169.31 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-4-propan-2-ylazepane is sourced from PubChem (CID 91322463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).