4-(tert-butylamino)-6-cyclopentyl-2,2-dimethylhexan-3-one;methane

C18H37NO — CID 161063092

IUPAC4-(tert-butylamino)-6-cyclopentyl-2,2-dimethylhexan-3-one;methane
SMILESC.CC(C)(C)NC(CCC1CCCC1)C(=O)C(C)(C)C
InChIInChI=1S/C17H33NO.CH4/c1-16(2,3)15(19)14(18-17(4,5)6)12-11-13-9-7-8-10-13;/h13-14,18H,7-12H2,1-6H3;1H4
InChIKeyUDQPCKMVZVPCFS-UHFFFAOYSA-N
MW283.50 g/mol
LogP4.96
Rot. Bonds5

About 4-(tert-butylamino)-6-cyclopentyl-2,2-dimethylhexan-3-one;methane

4-(tert-butylamino)-6-cyclopentyl-2,2-dimethylhexan-3-one;methane (PubChem CID 161063092) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is 4-(tert-butylamino)-6-cyclopentyl-2,2-dimethylhexan-3-one;methane.

Molecular Properties

Compound Name4-(tert-butylamino)-6-cyclopentyl-2,2-dimethylhexan-3-one;methane
PubChem CID161063092
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC Name4-(tert-butylamino)-6-cyclopentyl-2,2-dimethylhexan-3-one;methane
SMILESC.CC(C)(C)NC(CCC1CCCC1)C(=O)C(C)(C)C
InChIInChI=1S/C17H33NO.CH4/c1-16(2,3)15(19)14(18-17(4,5)6)12-11-13-9-7-8-10-13;/h13-14,18H,7-12H2,1-6H3;1H4
InChIKeyUDQPCKMVZVPCFS-UHFFFAOYSA-N
XLogP4.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(tert-butylamino)-4-cyclohexylbutanamide
CID 122595251
1-(3-bicyclo[3.2.2]nonanyl)-2-(tert-butylamino)-4,4-dimethylpentan-3-one;methane
CID 159782488
1-(3-bicyclo[3.2.1]octanyl)-2-(tert-butylamino)-4,4-dimethylpentan-3-one;methane
CID 162087736
(4S)-4-(tert-butylamino)-2,2-dimethyl-6-sulfanylhexan-3-one
CID 177273327
2-(tert-butylamino)-1-(3,3-dimethylcyclohexyl)-4,4-dimethylpentan-3-one
CID 22972943
(4S)-4-(tert-butylamino)-2,2,8,8-tetramethylnonane-3,7-dione
CID 140940119
(4S)-4-(tert-butylamino)-6-methoxy-2,2-dimethylhexan-3-one
CID 138500390
4-(tert-butylamino)-2,2,6,6,7-pentamethyloctan-3-one;methane
CID 157099721
1-amino-2-(tert-butylamino)-4,4-dimethylpentan-3-one
CID 58520717
(2S)-2-(tert-butylamino)-4,4-dimethyl-1-sulfanylpentan-3-one
CID 130318731
(1S)-1-(tert-butylamino)-1-cyclopentyl-3,3-dimethylbutan-2-one
CID 176781689
2-(tert-butylamino)-3-cyclopentyl-N-methoxy-N-methylpropanamide
CID 141416123

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylamino)-6-cyclopentyl-2,2-dimethylhexan-3-one;methane?
The IUPAC name of 4-(tert-butylamino)-6-cyclopentyl-2,2-dimethylhexan-3-one;methane (CID 161063092) is 4-(tert-butylamino)-6-cyclopentyl-2,2-dimethylhexan-3-one;methane.
What is the SMILES notation for 4-(tert-butylamino)-6-cyclopentyl-2,2-dimethylhexan-3-one;methane?
The canonical SMILES for 4-(tert-butylamino)-6-cyclopentyl-2,2-dimethylhexan-3-one;methane is C.CC(C)(C)NC(CCC1CCCC1)C(=O)C(C)(C)C.
What is the InChIKey of 4-(tert-butylamino)-6-cyclopentyl-2,2-dimethylhexan-3-one;methane?
The InChIKey is UDQPCKMVZVPCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO.CH4/c1-16(2,3)15(19)14(18-17(4,5)6)12-11-13-9-7-8-10-13;/h13-14,18H,7-12H2,1-6H3;1H4.
What are the key properties of 4-(tert-butylamino)-6-cyclopentyl-2,2-dimethylhexan-3-one;methane?
4-(tert-butylamino)-6-cyclopentyl-2,2-dimethylhexan-3-one;methane has a molecular weight of 283.50 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylamino)-6-cyclopentyl-2,2-dimethylhexan-3-one;methane is sourced from PubChem (CID 161063092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).