N,N-dimethyl-2-[[(2R)-pentan-2-yl]amino]acetamide

C9H20N2O — CID 28569844

IUPACN,N-dimethyl-2-[[(2R)-pentan-2-yl]amino]acetamide
SMILESCCC[C@@H](C)NCC(=O)N(C)C
InChIInChI=1S/C9H20N2O/c1-5-6-8(2)10-7-9(12)11(3)4/h8,10H,5-7H2,1-4H3/t8-/m1/s1
InChIKeyTXVCGKSRLNLBLN-MRVPVSSYSA-N
MW172.27 g/mol
LogP0.85
Rot. Bonds5

About N,N-dimethyl-2-[[(2R)-pentan-2-yl]amino]acetamide

N,N-dimethyl-2-[[(2R)-pentan-2-yl]amino]acetamide (PubChem CID 28569844) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is N,N-dimethyl-2-[[(2R)-pentan-2-yl]amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[(2R)-pentan-2-yl]amino]acetamide
PubChem CID28569844
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameN,N-dimethyl-2-[[(2R)-pentan-2-yl]amino]acetamide
SMILESCCC[C@@H](C)NCC(=O)N(C)C
InChIInChI=1S/C9H20N2O/c1-5-6-8(2)10-7-9(12)11(3)4/h8,10H,5-7H2,1-4H3/t8-/m1/s1
InChIKeyTXVCGKSRLNLBLN-MRVPVSSYSA-N
XLogP0.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(2S)-butan-2-yl]amino]-N,N-dimethylacetamide
CID 28565761
2-(heptan-4-ylamino)-N,N-dimethylacetamide
CID 43310850
N,N-dimethyl-2-(4-methylpentan-2-ylamino)acetamide
CID 43310901
N-butyl-2-[[2-(dimethylamino)-2-oxoethyl]amino]propanamide
CID 43243844
2-[[2-(dimethylamino)-2-oxoethyl]amino]-N-ethyl-N-methylpropanamide
CID 103108801
2-(heptan-2-ylamino)-N-methyl-N-propan-2-ylacetamide
CID 60688139
2-[4-(dimethylamino)butan-2-ylamino]-N-pentan-2-ylacetamide
CID 54963536
2-[4-(4-hydroxyphenyl)butan-2-ylamino]-N,N-dimethylacetamide
CID 43310878
2-(pentan-2-ylamino)-N-propan-2-ylacetamide
CID 43179512
N,N-dimethyl-2-(2-methylpentan-3-ylamino)acetamide
CID 43775382
N,N-diethyl-2-(heptan-2-ylamino)acetamide
CID 60688008
2-(1-cyclobutylpropan-2-ylamino)-N,N-dimethylacetamide
CID 115927364

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[(2R)-pentan-2-yl]amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[[(2R)-pentan-2-yl]amino]acetamide (CID 28569844) is N,N-dimethyl-2-[[(2R)-pentan-2-yl]amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[(2R)-pentan-2-yl]amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[(2R)-pentan-2-yl]amino]acetamide is CCC[C@@H](C)NCC(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-[[(2R)-pentan-2-yl]amino]acetamide?
The InChIKey is TXVCGKSRLNLBLN-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-5-6-8(2)10-7-9(12)11(3)4/h8,10H,5-7H2,1-4H3/t8-/m1/s1.
What are the key properties of N,N-dimethyl-2-[[(2R)-pentan-2-yl]amino]acetamide?
N,N-dimethyl-2-[[(2R)-pentan-2-yl]amino]acetamide has a molecular weight of 172.27 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[(2R)-pentan-2-yl]amino]acetamide is sourced from PubChem (CID 28569844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).