3,3-dimethyl-2-(propylamino)butanamide

C9H20N2O — CID 61325789

IUPAC3,3-dimethyl-2-(propylamino)butanamide
SMILESCCCNC(C(N)=O)C(C)(C)C
InChIInChI=1S/C9H20N2O/c1-5-6-11-7(8(10)12)9(2,3)4/h7,11H,5-6H2,1-4H3,(H2,10,12)
InChIKeyWLBZGROFKPPBBX-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.89
Rot. Bonds4

About 3,3-dimethyl-2-(propylamino)butanamide

3,3-dimethyl-2-(propylamino)butanamide (PubChem CID 61325789) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 3,3-dimethyl-2-(propylamino)butanamide.

Molecular Properties

Compound Name3,3-dimethyl-2-(propylamino)butanamide
PubChem CID61325789
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name3,3-dimethyl-2-(propylamino)butanamide
SMILESCCCNC(C(N)=O)C(C)(C)C
InChIInChI=1S/C9H20N2O/c1-5-6-11-7(8(10)12)9(2,3)4/h7,11H,5-6H2,1-4H3,(H2,10,12)
InChIKeyWLBZGROFKPPBBX-UHFFFAOYSA-N
XLogP0.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-2-(propylamino)butanoic acid
CID 61326415
(2S)-2-[2-(carbamoylamino)ethylamino]-3,3-dimethylbutanamide;hydrochloride
CID 87213115
2-(propylamino)propanamide
CID 43086178
(2S)-2-(propylamino)propanamide
CID 28835957
N-[2-[[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]amino]ethyl]cyclopropanecarboxamide;hydrochloride
CID 66952368
(2S)-2-(carbamoylamino)-3,3-dimethylbutanamide
CID 130628762
ethyl 2-(2-methoxyethylamino)-3,3-dimethylbutanoate
CID 62540120
ethyl 2-[2-(diethylamino)ethylamino]-3,3-dimethylbutanoate
CID 61325588
N-[(2S)-1-amino-1-oxopropan-2-yl]-3-methyl-2-(propylamino)butanamide
CID 134350217
2-[(4-bromophenyl)methylamino]-3,3-dimethylbutanamide
CID 119124787
methyl N-[(2R)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 88576811
3-(propylamino)butanamide
CID 54855476

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-(propylamino)butanamide?
The IUPAC name of 3,3-dimethyl-2-(propylamino)butanamide (CID 61325789) is 3,3-dimethyl-2-(propylamino)butanamide.
What is the SMILES notation for 3,3-dimethyl-2-(propylamino)butanamide?
The canonical SMILES for 3,3-dimethyl-2-(propylamino)butanamide is CCCNC(C(N)=O)C(C)(C)C.
What is the InChIKey of 3,3-dimethyl-2-(propylamino)butanamide?
The InChIKey is WLBZGROFKPPBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-5-6-11-7(8(10)12)9(2,3)4/h7,11H,5-6H2,1-4H3,(H2,10,12).
What are the key properties of 3,3-dimethyl-2-(propylamino)butanamide?
3,3-dimethyl-2-(propylamino)butanamide has a molecular weight of 172.27 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-(propylamino)butanamide is sourced from PubChem (CID 61325789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).