1,3,5,5-tetramethyl-2-(2-methylpropyl)azepane

C14H29N — CID 146572452

IUPAC1,3,5,5-tetramethyl-2-(2-methylpropyl)azepane
SMILESCC(C)CC1C(C)CC(C)(C)CCN1C
InChIInChI=1S/C14H29N/c1-11(2)9-13-12(3)10-14(4,5)7-8-15(13)6/h11-13H,7-10H2,1-6H3
InChIKeyNFPPXJZRZOVKJL-UHFFFAOYSA-N
MW211.39 g/mol
LogP3.79
Rot. Bonds2

About 1,3,5,5-tetramethyl-2-(2-methylpropyl)azepane

1,3,5,5-tetramethyl-2-(2-methylpropyl)azepane (PubChem CID 146572452) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is 1,3,5,5-tetramethyl-2-(2-methylpropyl)azepane.

Molecular Properties

Compound Name1,3,5,5-tetramethyl-2-(2-methylpropyl)azepane
PubChem CID146572452
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name1,3,5,5-tetramethyl-2-(2-methylpropyl)azepane
SMILESCC(C)CC1C(C)CC(C)(C)CCN1C
InChIInChI=1S/C14H29N/c1-11(2)9-13-12(3)10-14(4,5)7-8-15(13)6/h11-13H,7-10H2,1-6H3
InChIKeyNFPPXJZRZOVKJL-UHFFFAOYSA-N
XLogP3.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3,5,5-tetramethyl-2-(2-methylpropyl)azepane?
The IUPAC name of 1,3,5,5-tetramethyl-2-(2-methylpropyl)azepane (CID 146572452) is 1,3,5,5-tetramethyl-2-(2-methylpropyl)azepane.
What is the SMILES notation for 1,3,5,5-tetramethyl-2-(2-methylpropyl)azepane?
The canonical SMILES for 1,3,5,5-tetramethyl-2-(2-methylpropyl)azepane is CC(C)CC1C(C)CC(C)(C)CCN1C.
What is the InChIKey of 1,3,5,5-tetramethyl-2-(2-methylpropyl)azepane?
The InChIKey is NFPPXJZRZOVKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-11(2)9-13-12(3)10-14(4,5)7-8-15(13)6/h11-13H,7-10H2,1-6H3.
What are the key properties of 1,3,5,5-tetramethyl-2-(2-methylpropyl)azepane?
1,3,5,5-tetramethyl-2-(2-methylpropyl)azepane has a molecular weight of 211.39 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,5-tetramethyl-2-(2-methylpropyl)azepane is sourced from PubChem (CID 146572452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).