3-(tert-butylamino)-N-[2-(dimethylamino)propyl]propanamide

C12H27N3O — CID 61042831

IUPAC3-(tert-butylamino)-N-[2-(dimethylamino)propyl]propanamide
SMILESCC(CNC(=O)CCNC(C)(C)C)N(C)C
InChIInChI=1S/C12H27N3O/c1-10(15(5)6)9-13-11(16)7-8-14-12(2,3)4/h10,14H,7-9H2,1-6H3,(H,13,16)
InChIKeyMIIKLVXBUPGTDS-UHFFFAOYSA-N
MW229.37 g/mol
LogP0.83
Rot. Bonds6

About 3-(tert-butylamino)-N-[2-(dimethylamino)propyl]propanamide

3-(tert-butylamino)-N-[2-(dimethylamino)propyl]propanamide (PubChem CID 61042831) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 3-(tert-butylamino)-N-[2-(dimethylamino)propyl]propanamide.

Molecular Properties

Compound Name3-(tert-butylamino)-N-[2-(dimethylamino)propyl]propanamide
PubChem CID61042831
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name3-(tert-butylamino)-N-[2-(dimethylamino)propyl]propanamide
SMILESCC(CNC(=O)CCNC(C)(C)C)N(C)C
InChIInChI=1S/C12H27N3O/c1-10(15(5)6)9-13-11(16)7-8-14-12(2,3)4/h10,14H,7-9H2,1-6H3,(H,13,16)
InChIKeyMIIKLVXBUPGTDS-UHFFFAOYSA-N
XLogP0.83
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(tert-butylamino)-N-(2,3-dimethylbutyl)propanamide
CID 64599712
3-(tert-butylamino)-N-(2-piperidin-1-ylpropyl)propanamide
CID 54899224
3-(tert-butylamino)-N-[2-(2-hydroxyethyl)pentyl]propanamide
CID 114145527
3-(tert-butylamino)-N-(4-methylpentyl)propanamide
CID 61044511
2-bromo-N-[2-(dimethylamino)propyl]acetamide
CID 63679918
3-(tert-butylamino)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)propanamide
CID 61276030
3-(tert-butylamino)-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 60850956
3-(tert-butylamino)-N-(2-hydroxy-2-methylbutyl)propanamide
CID 65106616
N-butan-2-yl-3-(tert-butylamino)-N-methylpropanamide
CID 60849883
3-[2-(dimethylamino)propylamino]-N-methylpropanamide
CID 62326245
3-(ethylamino)-N-(2-methylpropyl)propanamide
CID 62832271
3-(tert-butylamino)-N-methyl-N-(2-methylbutyl)propanamide
CID 60850241

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-N-[2-(dimethylamino)propyl]propanamide?
The IUPAC name of 3-(tert-butylamino)-N-[2-(dimethylamino)propyl]propanamide (CID 61042831) is 3-(tert-butylamino)-N-[2-(dimethylamino)propyl]propanamide.
What is the SMILES notation for 3-(tert-butylamino)-N-[2-(dimethylamino)propyl]propanamide?
The canonical SMILES for 3-(tert-butylamino)-N-[2-(dimethylamino)propyl]propanamide is CC(CNC(=O)CCNC(C)(C)C)N(C)C.
What is the InChIKey of 3-(tert-butylamino)-N-[2-(dimethylamino)propyl]propanamide?
The InChIKey is MIIKLVXBUPGTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-10(15(5)6)9-13-11(16)7-8-14-12(2,3)4/h10,14H,7-9H2,1-6H3,(H,13,16).
What are the key properties of 3-(tert-butylamino)-N-[2-(dimethylamino)propyl]propanamide?
3-(tert-butylamino)-N-[2-(dimethylamino)propyl]propanamide has a molecular weight of 229.37 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-N-[2-(dimethylamino)propyl]propanamide is sourced from PubChem (CID 61042831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).