2-(heptan-2-ylamino)-N-methyl-N-propan-2-ylacetamide

C13H28N2O — CID 60688139

IUPAC2-(heptan-2-ylamino)-N-methyl-N-propan-2-ylacetamide
SMILESCCCCCC(C)NCC(=O)N(C)C(C)C
InChIInChI=1S/C13H28N2O/c1-6-7-8-9-12(4)14-10-13(16)15(5)11(2)3/h11-12,14H,6-10H2,1-5H3
InChIKeyUJORQHDENKAXMI-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.41
Rot. Bonds8

About 2-(heptan-2-ylamino)-N-methyl-N-propan-2-ylacetamide

2-(heptan-2-ylamino)-N-methyl-N-propan-2-ylacetamide (PubChem CID 60688139) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-(heptan-2-ylamino)-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(heptan-2-ylamino)-N-methyl-N-propan-2-ylacetamide
PubChem CID60688139
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2-(heptan-2-ylamino)-N-methyl-N-propan-2-ylacetamide
SMILESCCCCCC(C)NCC(=O)N(C)C(C)C
InChIInChI=1S/C13H28N2O/c1-6-7-8-9-12(4)14-10-13(16)15(5)11(2)3/h11-12,14H,6-10H2,1-5H3
InChIKeyUJORQHDENKAXMI-UHFFFAOYSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-2-(heptan-2-ylamino)acetamide
CID 60688008
2-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]-N-propylpropanamide
CID 60695704
N,N-dimethyl-2-[[(2R)-pentan-2-yl]amino]acetamide
CID 28569844
ethane;N-methyl-N-propan-2-ylnonanamide
CID 142045586
tert-butyl 2-(heptan-2-ylamino)acetate
CID 60680829
1-(azepan-1-yl)-2-(heptan-2-ylamino)ethanone
CID 60688159
N-(cyanomethyl)-2-(octan-2-ylamino)acetamide
CID 61476793
2-(butan-2-ylamino)-N,N-dihexylacetamide
CID 63497077
6-(octan-2-ylamino)-5-oxohexanal
CID 142832135
N-methyl-2-(2-methylprop-2-enylamino)-N-propan-2-ylacetamide
CID 114616817
N,N'-dimethyl-N,N'-di(tetradecan-6-yl)propanediamide
CID 88536227
methyl 4-methyl-2-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]pentanoate
CID 54940277

Frequently Asked Questions

What is the IUPAC name of 2-(heptan-2-ylamino)-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-(heptan-2-ylamino)-N-methyl-N-propan-2-ylacetamide (CID 60688139) is 2-(heptan-2-ylamino)-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(heptan-2-ylamino)-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-(heptan-2-ylamino)-N-methyl-N-propan-2-ylacetamide is CCCCCC(C)NCC(=O)N(C)C(C)C.
What is the InChIKey of 2-(heptan-2-ylamino)-N-methyl-N-propan-2-ylacetamide?
The InChIKey is UJORQHDENKAXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-6-7-8-9-12(4)14-10-13(16)15(5)11(2)3/h11-12,14H,6-10H2,1-5H3.
What are the key properties of 2-(heptan-2-ylamino)-N-methyl-N-propan-2-ylacetamide?
2-(heptan-2-ylamino)-N-methyl-N-propan-2-ylacetamide has a molecular weight of 228.38 g/mol, XLogP of 2.41, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(heptan-2-ylamino)-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 60688139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).