N-[2-(2,3,3-trimethylbutylamino)ethyl]acetamide

C11H24N2O — CID 107529863

IUPACN-[2-(2,3,3-trimethylbutylamino)ethyl]acetamide
SMILESCC(=O)NCCNCC(C)C(C)(C)C
InChIInChI=1S/C11H24N2O/c1-9(11(3,4)5)8-12-6-7-13-10(2)14/h9,12H,6-8H2,1-5H3,(H,13,14)
InChIKeyBPKYWNUYPPSRAO-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.39
Rot. Bonds5

About N-[2-(2,3,3-trimethylbutylamino)ethyl]acetamide

N-[2-(2,3,3-trimethylbutylamino)ethyl]acetamide (PubChem CID 107529863) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is N-[2-(2,3,3-trimethylbutylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(2,3,3-trimethylbutylamino)ethyl]acetamide
PubChem CID107529863
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC NameN-[2-(2,3,3-trimethylbutylamino)ethyl]acetamide
SMILESCC(=O)NCCNCC(C)C(C)(C)C
InChIInChI=1S/C11H24N2O/c1-9(11(3,4)5)8-12-6-7-13-10(2)14/h9,12H,6-8H2,1-5H3,(H,13,14)
InChIKeyBPKYWNUYPPSRAO-UHFFFAOYSA-N
XLogP1.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-2,3,3-trimethylbutyl]acetamide
CID 59118608
2,3,3-trimethyl-N-(3-methylbut-3-enyl)butan-1-amine
CID 114472495
N-[2-[(2-cyano-3,3,3-trifluoropropyl)amino]ethyl]acetamide
CID 103367047
methyl 4-(2,3,3-trimethylbutylamino)butanoate
CID 83144515
N-(2-acetamidoethyl)-2-amino-3,3-dimethylbutanamide
CID 76893602
N-[2-(2,2-dicyclopropylethylamino)ethyl]acetamide
CID 107529576
methyl 2,2-dimethyl-3-(2,3,3-trimethylbutylamino)propanoate
CID 83143662
N-ethyl-2-(2,3,3-trimethylbutylamino)acetamide
CID 83143284
methyl 2-acetamido-3-(2,3,3-trimethylbutylamino)propanoate
CID 103262309
3-amino-2,2,3-trimethyl-N-(2,3,3-trimethylbutyl)butanamide
CID 83142759
N-[2-[2-[2-[2-(ethylamino)ethylamino]ethylamino]ethylamino]ethyl]acetamide
CID 88534902
N-[2-(ethylamino)ethyl]acetamide;propane
CID 159314545

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3,3-trimethylbutylamino)ethyl]acetamide?
The IUPAC name of N-[2-(2,3,3-trimethylbutylamino)ethyl]acetamide (CID 107529863) is N-[2-(2,3,3-trimethylbutylamino)ethyl]acetamide.
What is the SMILES notation for N-[2-(2,3,3-trimethylbutylamino)ethyl]acetamide?
The canonical SMILES for N-[2-(2,3,3-trimethylbutylamino)ethyl]acetamide is CC(=O)NCCNCC(C)C(C)(C)C.
What is the InChIKey of N-[2-(2,3,3-trimethylbutylamino)ethyl]acetamide?
The InChIKey is BPKYWNUYPPSRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-9(11(3,4)5)8-12-6-7-13-10(2)14/h9,12H,6-8H2,1-5H3,(H,13,14).
What are the key properties of N-[2-(2,3,3-trimethylbutylamino)ethyl]acetamide?
N-[2-(2,3,3-trimethylbutylamino)ethyl]acetamide has a molecular weight of 200.33 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3,3-trimethylbutylamino)ethyl]acetamide is sourced from PubChem (CID 107529863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).