2,2,7,7-tetramethyl-1-propan-2-ylazepane

C13H27N — CID 164739441

IUPAC2,2,7,7-tetramethyl-1-propan-2-ylazepane
SMILESCC(C)N1C(C)(C)CCCCC1(C)C
InChIInChI=1S/C13H27N/c1-11(2)14-12(3,4)9-7-8-10-13(14,5)6/h11H,7-10H2,1-6H3
InChIKeyRJKPEXPEBUDUSL-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.83
Rot. Bonds1

About 2,2,7,7-tetramethyl-1-propan-2-ylazepane

2,2,7,7-tetramethyl-1-propan-2-ylazepane (PubChem CID 164739441) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 2,2,7,7-tetramethyl-1-propan-2-ylazepane.

Molecular Properties

Compound Name2,2,7,7-tetramethyl-1-propan-2-ylazepane
PubChem CID164739441
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name2,2,7,7-tetramethyl-1-propan-2-ylazepane
SMILESCC(C)N1C(C)(C)CCCCC1(C)C
InChIInChI=1S/C13H27N/c1-11(2)14-12(3,4)9-7-8-10-13(14,5)6/h11H,7-10H2,1-6H3
InChIKeyRJKPEXPEBUDUSL-UHFFFAOYSA-N
XLogP3.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2,6,6-tetramethyl-N,N-di(propan-2-yl)piperidin-1-amine
CID 57218894
2,2,6,6-tetramethyl-1,4-di(propan-2-yl)piperidine
CID 58730801
1,2,2,7,7-pentamethylazepane
CID 22946774
2-(2,2,6,6-tetramethylpiperidin-1-yl)propane-1,3-diol
CID 139091090
3,3-dimethyl-1-propan-2-ylazepane
CID 58110344
1,2,2,6,6-pentamethylpiperidine
CID 6603
2-[bis[carboxy-(2,2,6,6-tetramethylpiperidin-1-yl)methyl]amino]-2-(2,2,6,6-tetramethylpiperidin-1-yl)acetic acid
CID 141061575
2-propan-2-yl-2-azaspiro[3.4]octane
CID 118357245
1-(3-methyl-1-propan-2-ylazepan-3-yl)ethanamine
CID 130215546
3-methyl-1-propan-2-ylpiperidin-3-ol
CID 69087871
Tempo
CID 2724126
1,2,2,6,6-pentamethylpiperidine iodide
CID 5315073

Frequently Asked Questions

What is the IUPAC name of 2,2,7,7-tetramethyl-1-propan-2-ylazepane?
The IUPAC name of 2,2,7,7-tetramethyl-1-propan-2-ylazepane (CID 164739441) is 2,2,7,7-tetramethyl-1-propan-2-ylazepane.
What is the SMILES notation for 2,2,7,7-tetramethyl-1-propan-2-ylazepane?
The canonical SMILES for 2,2,7,7-tetramethyl-1-propan-2-ylazepane is CC(C)N1C(C)(C)CCCCC1(C)C.
What is the InChIKey of 2,2,7,7-tetramethyl-1-propan-2-ylazepane?
The InChIKey is RJKPEXPEBUDUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-11(2)14-12(3,4)9-7-8-10-13(14,5)6/h11H,7-10H2,1-6H3.
What are the key properties of 2,2,7,7-tetramethyl-1-propan-2-ylazepane?
2,2,7,7-tetramethyl-1-propan-2-ylazepane has a molecular weight of 197.37 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,7,7-tetramethyl-1-propan-2-ylazepane is sourced from PubChem (CID 164739441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).