2-(3-cyclobutylphenyl)-2-propan-2-ylazepane

C19H29N — CID 114603856

IUPAC2-(3-cyclobutylphenyl)-2-propan-2-ylazepane
SMILESCC(C)C1(c2cccc(C3CCC3)c2)CCCCCN1
InChIInChI=1S/C19H29N/c1-15(2)19(12-4-3-5-13-20-19)18-11-7-10-17(14-18)16-8-6-9-16/h7,10-11,14-16,20H,3-6,8-9,12-13H2,1-2H3
InChIKeyGZGXSSAUCZXPTD-UHFFFAOYSA-N
MW271.45 g/mol
LogP4.97
Rot. Bonds3

About 2-(3-cyclobutylphenyl)-2-propan-2-ylazepane

2-(3-cyclobutylphenyl)-2-propan-2-ylazepane (PubChem CID 114603856) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is 2-(3-cyclobutylphenyl)-2-propan-2-ylazepane.

Molecular Properties

Compound Name2-(3-cyclobutylphenyl)-2-propan-2-ylazepane
PubChem CID114603856
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC Name2-(3-cyclobutylphenyl)-2-propan-2-ylazepane
SMILESCC(C)C1(c2cccc(C3CCC3)c2)CCCCCN1
InChIInChI=1S/C19H29N/c1-15(2)19(12-4-3-5-13-20-19)18-11-7-10-17(14-18)16-8-6-9-16/h7,10-11,14-16,20H,3-6,8-9,12-13H2,1-2H3
InChIKeyGZGXSSAUCZXPTD-UHFFFAOYSA-N
XLogP4.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromophenyl)-2-propan-2-ylazepane
CID 115059411
2-(3-cyclopropyloxyphenyl)-2-propan-2-ylazepane
CID 114521875
2-(3-chlorophenyl)-2-propan-2-ylpiperidine
CID 115058678
2-propan-2-yl-2-(4-propan-2-ylphenyl)azepane
CID 79116630
2-(2,6-difluorophenyl)-2-propan-2-ylazepane
CID 79118040
4-(2-propan-2-ylpiperidin-2-yl)phenol
CID 115058712
1-(3-cycloheptylphenyl)cyclopentan-1-amine
CID 117397299
4-(3-cyclobutylphenyl)-4-fluoroazepane
CID 114607413
3-(3-cyclobutylphenyl)-3-fluoropiperidine
CID 114607384
2-(3,4-dimethylphenyl)-2-propan-2-ylpyrrolidine
CID 66465151
1-(3-cyclobutylphenyl)-2-methylcyclopentan-1-ol
CID 114601384
4-(2-propan-2-ylpyrrolidin-2-yl)phenol
CID 115058626

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclobutylphenyl)-2-propan-2-ylazepane?
The IUPAC name of 2-(3-cyclobutylphenyl)-2-propan-2-ylazepane (CID 114603856) is 2-(3-cyclobutylphenyl)-2-propan-2-ylazepane.
What is the SMILES notation for 2-(3-cyclobutylphenyl)-2-propan-2-ylazepane?
The canonical SMILES for 2-(3-cyclobutylphenyl)-2-propan-2-ylazepane is CC(C)C1(c2cccc(C3CCC3)c2)CCCCCN1.
What is the InChIKey of 2-(3-cyclobutylphenyl)-2-propan-2-ylazepane?
The InChIKey is GZGXSSAUCZXPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N/c1-15(2)19(12-4-3-5-13-20-19)18-11-7-10-17(14-18)16-8-6-9-16/h7,10-11,14-16,20H,3-6,8-9,12-13H2,1-2H3.
What are the key properties of 2-(3-cyclobutylphenyl)-2-propan-2-ylazepane?
2-(3-cyclobutylphenyl)-2-propan-2-ylazepane has a molecular weight of 271.45 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclobutylphenyl)-2-propan-2-ylazepane is sourced from PubChem (CID 114603856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).