N,N-diethyl-2-[[methyl(propan-2-yl)amino]methyl]butanamide

C13H28N2O — CID 153397334

IUPACN,N-diethyl-2-[[methyl(propan-2-yl)amino]methyl]butanamide
SMILESCCC(CN(C)C(C)C)C(=O)N(CC)CC
InChIInChI=1S/C13H28N2O/c1-7-12(10-14(6)11(4)5)13(16)15(8-2)9-3/h11-12H,7-10H2,1-6H3
InChIKeyVUEVZCZSFBUSBW-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.22
Rot. Bonds7

About N,N-diethyl-2-[[methyl(propan-2-yl)amino]methyl]butanamide

N,N-diethyl-2-[[methyl(propan-2-yl)amino]methyl]butanamide (PubChem CID 153397334) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N,N-diethyl-2-[[methyl(propan-2-yl)amino]methyl]butanamide.

Molecular Properties

Compound NameN,N-diethyl-2-[[methyl(propan-2-yl)amino]methyl]butanamide
PubChem CID153397334
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN,N-diethyl-2-[[methyl(propan-2-yl)amino]methyl]butanamide
SMILESCCC(CN(C)C(C)C)C(=O)N(CC)CC
InChIInChI=1S/C13H28N2O/c1-7-12(10-14(6)11(4)5)13(16)15(8-2)9-3/h11-12H,7-10H2,1-6H3
InChIKeyVUEVZCZSFBUSBW-UHFFFAOYSA-N
XLogP2.22
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N,2-triethyl-4-methylpentanamide
CID 170847895
N,N-diethyl-2-[[2-methoxyethyl(methyl)amino]methyl]butanamide
CID 143677683
N,N-diethyl-2-[[2-methoxyethyl(methyl)amino]methyl]butanamide;ethane
CID 143677935
N,N-diethyl-2-[2-hydroxypropyl(methyl)amino]propanamide
CID 62333186
(2S)-N,N-diethyl-2-methylbutanamide
CID 158106259
2-[[methyl(propan-2-yl)amino]methyl]pentanoic acid
CID 54475032
2-[[3-(diethylamino)-1,1-difluoro-2-methyl-3-oxopropoxy]-difluoromethyl]-N,N-diethylbutanamide
CID 162606211
3-[2-ethylbutanoyl(2-hydroxypropyl)amino]-2-methylpropanoic acid
CID 82323893
N-[2-(diethylcarbamoylamino)ethyl]-2-ethylbutanamide
CID 108573873
N,N-diethyl-2-[2-hydroxyethyl(methyl)amino]propanamide
CID 62020446
2-[(dimethylamino)methyl]-N,N-dimethylbutanamide;ethane
CID 171517264
2-N-ethyl-1-N,2-N-dimethyl-1-N-propan-2-ylbutane-1,2-diamine
CID 164857720

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[[methyl(propan-2-yl)amino]methyl]butanamide?
The IUPAC name of N,N-diethyl-2-[[methyl(propan-2-yl)amino]methyl]butanamide (CID 153397334) is N,N-diethyl-2-[[methyl(propan-2-yl)amino]methyl]butanamide.
What is the SMILES notation for N,N-diethyl-2-[[methyl(propan-2-yl)amino]methyl]butanamide?
The canonical SMILES for N,N-diethyl-2-[[methyl(propan-2-yl)amino]methyl]butanamide is CCC(CN(C)C(C)C)C(=O)N(CC)CC.
What is the InChIKey of N,N-diethyl-2-[[methyl(propan-2-yl)amino]methyl]butanamide?
The InChIKey is VUEVZCZSFBUSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-7-12(10-14(6)11(4)5)13(16)15(8-2)9-3/h11-12H,7-10H2,1-6H3.
What are the key properties of N,N-diethyl-2-[[methyl(propan-2-yl)amino]methyl]butanamide?
N,N-diethyl-2-[[methyl(propan-2-yl)amino]methyl]butanamide has a molecular weight of 228.38 g/mol, XLogP of 2.22, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[[methyl(propan-2-yl)amino]methyl]butanamide is sourced from PubChem (CID 153397334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).