N-tert-butyl-N-methyl-3-(propan-2-ylamino)propanamide;methane

C12H28N2O — CID 158948159

IUPACN-tert-butyl-N-methyl-3-(propan-2-ylamino)propanamide;methane
SMILESC.CC(C)NCCC(=O)N(C)C(C)(C)C
InChIInChI=1S/C11H24N2O.CH4/c1-9(2)12-8-7-10(14)13(6)11(3,4)5;/h9,12H,7-8H2,1-6H3;1H4
InChIKeyJLBXIRGLQBTOIR-UHFFFAOYSA-N
MW216.37 g/mol
LogP2.27
Rot. Bonds4

About N-tert-butyl-N-methyl-3-(propan-2-ylamino)propanamide;methane

N-tert-butyl-N-methyl-3-(propan-2-ylamino)propanamide;methane (PubChem CID 158948159) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is N-tert-butyl-N-methyl-3-(propan-2-ylamino)propanamide;methane.

Molecular Properties

Compound NameN-tert-butyl-N-methyl-3-(propan-2-ylamino)propanamide;methane
PubChem CID158948159
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC NameN-tert-butyl-N-methyl-3-(propan-2-ylamino)propanamide;methane
SMILESC.CC(C)NCCC(=O)N(C)C(C)(C)C
InChIInChI=1S/C11H24N2O.CH4/c1-9(2)12-8-7-10(14)13(6)11(3,4)5;/h9,12H,7-8H2,1-6H3;1H4
InChIKeyJLBXIRGLQBTOIR-UHFFFAOYSA-N
XLogP2.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-[methyl-[4-(propan-2-ylamino)butanoyl]amino]propanoic acid
CID 62819185
N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-3-(propan-2-ylamino)propanamide
CID 60854503
N-methyl-N-(3-methylbutan-2-yl)-3-(propan-2-ylamino)propanamide
CID 60854332
N-[(4-tert-butylphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide
CID 60936975
N-methyl-N-(2-methylsulfonylethyl)-3-(propan-2-ylamino)propanamide
CID 79859155
N-methyl-3-(propan-2-ylamino)-N',N'-bis(prop-2-enyl)propanehydrazide
CID 87500885
N-[2-(dimethylamino)-2-oxoethyl]-3-(propan-2-ylamino)-N-propylpropanamide
CID 54916358
2-[propan-2-yl-[3-(propan-2-ylamino)propanoyl]amino]acetic acid
CID 61162403
3-(propan-2-ylamino)propanamide
CID 18768059
N,N-dimethyl-3-(4,4,4-trifluorobutan-2-ylamino)propanamide
CID 115715320
N-methyl-N-(2-methylbutan-2-yl)-2-(propan-2-ylamino)acetamide
CID 63965933
sodium 3-(propan-2-ylamino)propanoate
CID 102309270

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-methyl-3-(propan-2-ylamino)propanamide;methane?
The IUPAC name of N-tert-butyl-N-methyl-3-(propan-2-ylamino)propanamide;methane (CID 158948159) is N-tert-butyl-N-methyl-3-(propan-2-ylamino)propanamide;methane.
What is the SMILES notation for N-tert-butyl-N-methyl-3-(propan-2-ylamino)propanamide;methane?
The canonical SMILES for N-tert-butyl-N-methyl-3-(propan-2-ylamino)propanamide;methane is C.CC(C)NCCC(=O)N(C)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-methyl-3-(propan-2-ylamino)propanamide;methane?
The InChIKey is JLBXIRGLQBTOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O.CH4/c1-9(2)12-8-7-10(14)13(6)11(3,4)5;/h9,12H,7-8H2,1-6H3;1H4.
What are the key properties of N-tert-butyl-N-methyl-3-(propan-2-ylamino)propanamide;methane?
N-tert-butyl-N-methyl-3-(propan-2-ylamino)propanamide;methane has a molecular weight of 216.37 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-methyl-3-(propan-2-ylamino)propanamide;methane is sourced from PubChem (CID 158948159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).