(2-aminocycloheptyl)-(4-tert-butylphenyl)methanone

C18H27NO — CID 116595307

IUPAC(2-aminocycloheptyl)-(4-tert-butylphenyl)methanone
SMILESCC(C)(C)c1ccc(C(=O)C2CCCCCC2N)cc1
InChIInChI=1S/C18H27NO/c1-18(2,3)14-11-9-13(10-12-14)17(20)15-7-5-4-6-8-16(15)19/h9-12,15-16H,4-8,19H2,1-3H3
InChIKeyMRAXMAJYFLZOJY-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.07
Rot. Bonds2

About (2-aminocycloheptyl)-(4-tert-butylphenyl)methanone

(2-aminocycloheptyl)-(4-tert-butylphenyl)methanone (PubChem CID 116595307) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is (2-aminocycloheptyl)-(4-tert-butylphenyl)methanone.

Molecular Properties

Compound Name(2-aminocycloheptyl)-(4-tert-butylphenyl)methanone
PubChem CID116595307
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name(2-aminocycloheptyl)-(4-tert-butylphenyl)methanone
SMILESCC(C)(C)c1ccc(C(=O)C2CCCCCC2N)cc1
InChIInChI=1S/C18H27NO/c1-18(2,3)14-11-9-13(10-12-14)17(20)15-7-5-4-6-8-16(15)19/h9-12,15-16H,4-8,19H2,1-3H3
InChIKeyMRAXMAJYFLZOJY-UHFFFAOYSA-N
XLogP4.07
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-aminocyclohexyl)-(4-phenylphenyl)methanone
CID 116579817
(2-aminocyclohexyl)-(4-propoxyphenyl)methanone
CID 116579889
(4-aminocyclohexyl)-(4-tert-butylphenyl)methanone
CID 116557437
(2-aminocycloheptyl)-thiophen-3-ylmethanone
CID 116595140
azepan-2-yl-(4-tert-butylphenyl)methanone
CID 70558460
(2-aminocycloheptyl)-(2-methylquinolin-6-yl)methanone
CID 116595188
2-(4-tert-butylbenzoyl)cyclohexan-1-one
CID 67133289
(2-aminocyclohexyl)-thiophen-3-ylmethanone
CID 116579819
(2-aminocyclopentyl)-naphthalen-2-ylmethanone
CID 116580184
1-(2-aminocycloheptyl)-2,2-dimethylpropan-1-one
CID 116595247
6-(4-tert-butylbenzoyl)cyclohex-3-ene-1-carboxylic acid
CID 146004266
1-(4-tert-butylphenyl)-2-cyclohexylethanone
CID 43337749

Frequently Asked Questions

What is the IUPAC name of (2-aminocycloheptyl)-(4-tert-butylphenyl)methanone?
The IUPAC name of (2-aminocycloheptyl)-(4-tert-butylphenyl)methanone (CID 116595307) is (2-aminocycloheptyl)-(4-tert-butylphenyl)methanone.
What is the SMILES notation for (2-aminocycloheptyl)-(4-tert-butylphenyl)methanone?
The canonical SMILES for (2-aminocycloheptyl)-(4-tert-butylphenyl)methanone is CC(C)(C)c1ccc(C(=O)C2CCCCCC2N)cc1.
What is the InChIKey of (2-aminocycloheptyl)-(4-tert-butylphenyl)methanone?
The InChIKey is MRAXMAJYFLZOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-18(2,3)14-11-9-13(10-12-14)17(20)15-7-5-4-6-8-16(15)19/h9-12,15-16H,4-8,19H2,1-3H3.
What are the key properties of (2-aminocycloheptyl)-(4-tert-butylphenyl)methanone?
(2-aminocycloheptyl)-(4-tert-butylphenyl)methanone has a molecular weight of 273.42 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminocycloheptyl)-(4-tert-butylphenyl)methanone is sourced from PubChem (CID 116595307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).