N,N-diethyl-2-(hexan-3-ylamino)acetamide

C12H26N2O — CID 62117829

IUPACN,N-diethyl-2-(hexan-3-ylamino)acetamide
SMILESCCCC(CC)NCC(=O)N(CC)CC
InChIInChI=1S/C12H26N2O/c1-5-9-11(6-2)13-10-12(15)14(7-3)8-4/h11,13H,5-10H2,1-4H3
InChIKeyNJCQOUMTWXHRFF-UHFFFAOYSA-N
MW214.35 g/mol
LogP2.02
Rot. Bonds8

About N,N-diethyl-2-(hexan-3-ylamino)acetamide

N,N-diethyl-2-(hexan-3-ylamino)acetamide (PubChem CID 62117829) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N,N-diethyl-2-(hexan-3-ylamino)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(hexan-3-ylamino)acetamide
PubChem CID62117829
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN,N-diethyl-2-(hexan-3-ylamino)acetamide
SMILESCCCC(CC)NCC(=O)N(CC)CC
InChIInChI=1S/C12H26N2O/c1-5-9-11(6-2)13-10-12(15)14(7-3)8-4/h11,13H,5-10H2,1-4H3
InChIKeyNJCQOUMTWXHRFF-UHFFFAOYSA-N
XLogP2.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-(hexan-3-ylamino)-N-methylacetamide
CID 62119858
2-(heptan-4-ylamino)-N,N-dimethylacetamide
CID 43310850
N,N-diethyl-2-(heptan-2-ylamino)acetamide
CID 60688008
2-[[2-(diethylamino)-2-oxoethyl]amino]-N,N-diethylacetamide
CID 56638226
2-(1-aminopropan-2-ylamino)-N,N-diethylacetamide
CID 103390839
N,N-diethyl-2-[(1-hydroxy-4-methylpentan-3-yl)amino]acetamide
CID 104696156
2-[1-(4-chlorophenyl)butylamino]-N,N-diethylacetamide
CID 115712612
methyl 2-[[2-(diethylamino)-2-oxoethyl]amino]-4-methylpentanoate
CID 54939870
N,N-diethyl-2-(propylamino)acetamide
CID 15103931
2-(hexan-3-ylamino)-N-(1-methoxypropan-2-yl)acetamide
CID 62118570
3-[[2-(butan-2-ylamino)acetyl]-ethylamino]propanoic acid
CID 62328666
2-[[(3S)-hexan-3-yl]amino]ethanol
CID 27254970

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(hexan-3-ylamino)acetamide?
The IUPAC name of N,N-diethyl-2-(hexan-3-ylamino)acetamide (CID 62117829) is N,N-diethyl-2-(hexan-3-ylamino)acetamide.
What is the SMILES notation for N,N-diethyl-2-(hexan-3-ylamino)acetamide?
The canonical SMILES for N,N-diethyl-2-(hexan-3-ylamino)acetamide is CCCC(CC)NCC(=O)N(CC)CC.
What is the InChIKey of N,N-diethyl-2-(hexan-3-ylamino)acetamide?
The InChIKey is NJCQOUMTWXHRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-5-9-11(6-2)13-10-12(15)14(7-3)8-4/h11,13H,5-10H2,1-4H3.
What are the key properties of N,N-diethyl-2-(hexan-3-ylamino)acetamide?
N,N-diethyl-2-(hexan-3-ylamino)acetamide has a molecular weight of 214.35 g/mol, XLogP of 2.02, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(hexan-3-ylamino)acetamide is sourced from PubChem (CID 62117829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).