N-butan-2-yl-3-(tert-butylamino)-N-methylpropanamide

C12H26N2O — CID 60849883

IUPACN-butan-2-yl-3-(tert-butylamino)-N-methylpropanamide
SMILESCCC(C)N(C)C(=O)CCNC(C)(C)C
InChIInChI=1S/C12H26N2O/c1-7-10(2)14(6)11(15)8-9-13-12(3,4)5/h10,13H,7-9H2,1-6H3
InChIKeyKTWHWXOQAMGYSE-UHFFFAOYSA-N
MW214.35 g/mol
LogP2.02
Rot. Bonds5

About N-butan-2-yl-3-(tert-butylamino)-N-methylpropanamide

N-butan-2-yl-3-(tert-butylamino)-N-methylpropanamide (PubChem CID 60849883) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N-butan-2-yl-3-(tert-butylamino)-N-methylpropanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-(tert-butylamino)-N-methylpropanamide
PubChem CID60849883
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN-butan-2-yl-3-(tert-butylamino)-N-methylpropanamide
SMILESCCC(C)N(C)C(=O)CCNC(C)(C)C
InChIInChI=1S/C12H26N2O/c1-7-10(2)14(6)11(15)8-9-13-12(3,4)5/h10,13H,7-9H2,1-6H3
InChIKeyKTWHWXOQAMGYSE-UHFFFAOYSA-N
XLogP2.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

3-(tert-butylamino)-N-methyl-N-(2-methylbutyl)propanamide
CID 60850241
N-benzyl-N-butan-2-yl-3-(tert-butylamino)propanamide
CID 60937133
N-butan-2-yl-3-(dimethylamino)-N-methylpropanamide
CID 167181604
3-(tert-butylamino)-N-[2-(dimethylamino)propyl]propanamide
CID 61042831
3-(tert-butylamino)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide
CID 54916197
N-butan-2-yl-N-methyl-3-piperidin-4-ylpropanamide
CID 62210682
3-(tert-butylamino)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide
CID 79377535
1-(tert-butylamino)-5-methylhexan-3-one
CID 116557850
3-(tert-butylamino)-N-(2-hydroxyethyl)-N-propylpropanamide
CID 60945491
N-[3-[butan-2-yl(methyl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 134006121
N-butan-2-yl-4-cyclohexyl-N-methylbutanamide
CID 112817760
N-butyl-3-(tert-butylamino)-N-(2-hydroxyethyl)propanamide
CID 54870894

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(tert-butylamino)-N-methylpropanamide?
The IUPAC name of N-butan-2-yl-3-(tert-butylamino)-N-methylpropanamide (CID 60849883) is N-butan-2-yl-3-(tert-butylamino)-N-methylpropanamide.
What is the SMILES notation for N-butan-2-yl-3-(tert-butylamino)-N-methylpropanamide?
The canonical SMILES for N-butan-2-yl-3-(tert-butylamino)-N-methylpropanamide is CCC(C)N(C)C(=O)CCNC(C)(C)C.
What is the InChIKey of N-butan-2-yl-3-(tert-butylamino)-N-methylpropanamide?
The InChIKey is KTWHWXOQAMGYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-7-10(2)14(6)11(15)8-9-13-12(3,4)5/h10,13H,7-9H2,1-6H3.
What are the key properties of N-butan-2-yl-3-(tert-butylamino)-N-methylpropanamide?
N-butan-2-yl-3-(tert-butylamino)-N-methylpropanamide has a molecular weight of 214.35 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-(tert-butylamino)-N-methylpropanamide is sourced from PubChem (CID 60849883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).