2-(tert-butylamino)-4,4-dimethyl-1-(4-methylpiperazin-1-yl)pentan-3-one

C16H33N3O — CID 20750348

IUPAC2-(tert-butylamino)-4,4-dimethyl-1-(4-methylpiperazin-1-yl)pentan-3-one
SMILESCN1CCN(CC(NC(C)(C)C)C(=O)C(C)(C)C)CC1
InChIInChI=1S/C16H33N3O/c1-15(2,3)14(20)13(17-16(4,5)6)12-19-10-8-18(7)9-11-19/h13,17H,8-12H2,1-7H3
InChIKeyBCFNKSLFJOHNLL-UHFFFAOYSA-N
MW283.46 g/mol
LogP1.61
Rot. Bonds4

About 2-(tert-butylamino)-4,4-dimethyl-1-(4-methylpiperazin-1-yl)pentan-3-one

2-(tert-butylamino)-4,4-dimethyl-1-(4-methylpiperazin-1-yl)pentan-3-one (PubChem CID 20750348) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 2-(tert-butylamino)-4,4-dimethyl-1-(4-methylpiperazin-1-yl)pentan-3-one.

Molecular Properties

Compound Name2-(tert-butylamino)-4,4-dimethyl-1-(4-methylpiperazin-1-yl)pentan-3-one
PubChem CID20750348
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name2-(tert-butylamino)-4,4-dimethyl-1-(4-methylpiperazin-1-yl)pentan-3-one
SMILESCN1CCN(CC(NC(C)(C)C)C(=O)C(C)(C)C)CC1
InChIInChI=1S/C16H33N3O/c1-15(2,3)14(20)13(17-16(4,5)6)12-19-10-8-18(7)9-11-19/h13,17H,8-12H2,1-7H3
InChIKeyBCFNKSLFJOHNLL-UHFFFAOYSA-N
XLogP1.61
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-methyl-3-(4-methylpiperazin-1-yl)propanoic acid
CID 51704160
(4S)-4-(tert-butylamino)-2,2-dimethyl-7-morpholin-4-ylheptan-3-one
CID 176762057
(2S)-2-(tert-butylamino)-4,4-dimethyl-1-sulfanylpentan-3-one
CID 130318731
1-amino-2-(tert-butylamino)-4,4-dimethylpentan-3-one
CID 58520717
(4S)-4-(tert-butylamino)-2,2,8,8-tetramethylnonane-3,7-dione
CID 140940119
(4S)-4-(tert-butylamino)-2,2-dimethyl-6-sulfanylhexan-3-one
CID 177273327
1-(2-tert-butyl-3,3-dimethylbutyl)-4-methylpiperazine
CID 176871085
methyl 3-(4-tert-butylpiperazin-1-yl)-2-methylpropanoate
CID 61432891
4-(tert-butylamino)-2,2,6,6,7-pentamethyloctan-3-one;methane
CID 157099721
(4S)-4-(tert-butylamino)-6-methoxy-2,2-dimethylhexan-3-one
CID 138500390
methyl 2-[(4-methylpiperazin-1-yl)methyl]pentanoate
CID 117242072
4-(tert-butylamino)-6-cyclopentyl-2,2-dimethylhexan-3-one;methane
CID 161063092

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-4,4-dimethyl-1-(4-methylpiperazin-1-yl)pentan-3-one?
The IUPAC name of 2-(tert-butylamino)-4,4-dimethyl-1-(4-methylpiperazin-1-yl)pentan-3-one (CID 20750348) is 2-(tert-butylamino)-4,4-dimethyl-1-(4-methylpiperazin-1-yl)pentan-3-one.
What is the SMILES notation for 2-(tert-butylamino)-4,4-dimethyl-1-(4-methylpiperazin-1-yl)pentan-3-one?
The canonical SMILES for 2-(tert-butylamino)-4,4-dimethyl-1-(4-methylpiperazin-1-yl)pentan-3-one is CN1CCN(CC(NC(C)(C)C)C(=O)C(C)(C)C)CC1.
What is the InChIKey of 2-(tert-butylamino)-4,4-dimethyl-1-(4-methylpiperazin-1-yl)pentan-3-one?
The InChIKey is BCFNKSLFJOHNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-15(2,3)14(20)13(17-16(4,5)6)12-19-10-8-18(7)9-11-19/h13,17H,8-12H2,1-7H3.
What are the key properties of 2-(tert-butylamino)-4,4-dimethyl-1-(4-methylpiperazin-1-yl)pentan-3-one?
2-(tert-butylamino)-4,4-dimethyl-1-(4-methylpiperazin-1-yl)pentan-3-one has a molecular weight of 283.46 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-4,4-dimethyl-1-(4-methylpiperazin-1-yl)pentan-3-one is sourced from PubChem (CID 20750348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).