2-[(3-amino-2,2-dimethylpropyl)-propylamino]-1-(2-methylpiperidin-1-yl)ethanone

C16H33N3O — CID 79662090

IUPAC2-[(3-amino-2,2-dimethylpropyl)-propylamino]-1-(2-methylpiperidin-1-yl)ethanone
SMILESCCCN(CC(=O)N1CCCCC1C)CC(C)(C)CN
InChIInChI=1S/C16H33N3O/c1-5-9-18(13-16(3,4)12-17)11-15(20)19-10-7-6-8-14(19)2/h14H,5-13,17H2,1-4H3
InChIKeyMOFOHXAVIPCPHN-UHFFFAOYSA-N
MW283.46 g/mol
LogP2.08
Rot. Bonds7

About 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-1-(2-methylpiperidin-1-yl)ethanone

2-[(3-amino-2,2-dimethylpropyl)-propylamino]-1-(2-methylpiperidin-1-yl)ethanone (PubChem CID 79662090) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-1-(2-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[(3-amino-2,2-dimethylpropyl)-propylamino]-1-(2-methylpiperidin-1-yl)ethanone
PubChem CID79662090
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name2-[(3-amino-2,2-dimethylpropyl)-propylamino]-1-(2-methylpiperidin-1-yl)ethanone
SMILESCCCN(CC(=O)N1CCCCC1C)CC(C)(C)CN
InChIInChI=1S/C16H33N3O/c1-5-9-18(13-16(3,4)12-17)11-15(20)19-10-7-6-8-14(19)2/h14H,5-13,17H2,1-4H3
InChIKeyMOFOHXAVIPCPHN-UHFFFAOYSA-N
XLogP2.08
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-1-(2-methylpiperidin-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(dipropylamino)-1-(2-methylpiperidin-1-yl)ethanone
CID 86910557
4-amino-3,3-dimethyl-1-[(2S)-2-methylpiperidin-1-yl]butan-1-one
CID 145040283
2-[ethyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid
CID 54900105
2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-cycloheptylacetamide
CID 79665477
2-(dipropylamino)-1-(2-ethylpiperidin-1-yl)ethanone
CID 86910548
2-amino-1-(2-methylpiperidin-1-yl)ethanone
CID 24708863
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-(2-ethylpiperidin-1-yl)ethanone;hydrochloride
CID 119928683
2-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid
CID 43442399
3-amino-1-(2-methylpiperidin-1-yl)propan-1-one
CID 16796103
2-(tert-butylamino)-1-(2-methylpiperidin-1-yl)ethanone
CID 78987116
methyl 3-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoate
CID 62011671
3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1-(2-methylpyrrolidin-1-yl)propan-1-one
CID 111496494

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-1-(2-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-1-(2-methylpiperidin-1-yl)ethanone (CID 79662090) is 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-1-(2-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-1-(2-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-1-(2-methylpiperidin-1-yl)ethanone is CCCN(CC(=O)N1CCCCC1C)CC(C)(C)CN.
What is the InChIKey of 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-1-(2-methylpiperidin-1-yl)ethanone?
The InChIKey is MOFOHXAVIPCPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-5-9-18(13-16(3,4)12-17)11-15(20)19-10-7-6-8-14(19)2/h14H,5-13,17H2,1-4H3.
What are the key properties of 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-1-(2-methylpiperidin-1-yl)ethanone?
2-[(3-amino-2,2-dimethylpropyl)-propylamino]-1-(2-methylpiperidin-1-yl)ethanone has a molecular weight of 283.46 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-1-(2-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 79662090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).