N-methyl-N-(3-methylbutan-2-yl)-3-(propan-2-ylamino)propanamide

C12H26N2O — CID 60854332

IUPACN-methyl-N-(3-methylbutan-2-yl)-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)N(C)C(C)C(C)C
InChIInChI=1S/C12H26N2O/c1-9(2)11(5)14(6)12(15)7-8-13-10(3)4/h9-11,13H,7-8H2,1-6H3
InChIKeyGWDMBWNTIOSWGM-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.88
Rot. Bonds6

About N-methyl-N-(3-methylbutan-2-yl)-3-(propan-2-ylamino)propanamide

N-methyl-N-(3-methylbutan-2-yl)-3-(propan-2-ylamino)propanamide (PubChem CID 60854332) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N-methyl-N-(3-methylbutan-2-yl)-3-(propan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-methyl-N-(3-methylbutan-2-yl)-3-(propan-2-ylamino)propanamide
PubChem CID60854332
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN-methyl-N-(3-methylbutan-2-yl)-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)N(C)C(C)C(C)C
InChIInChI=1S/C12H26N2O/c1-9(2)11(5)14(6)12(15)7-8-13-10(3)4/h9-11,13H,7-8H2,1-6H3
InChIKeyGWDMBWNTIOSWGM-UHFFFAOYSA-N
XLogP1.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-3-(propan-2-ylamino)propanamide
CID 60854503
N-tert-butyl-N-methyl-3-(propan-2-ylamino)propanamide;methane
CID 158948159
N-[1-(4-chlorophenyl)ethyl]-N-methyl-3-(propan-2-ylamino)propanamide
CID 54870564
2-amino-N-methyl-N-(3-methylbutan-2-yl)acetamide
CID 43570257
N-[2-(dimethylamino)-2-oxoethyl]-3-(propan-2-ylamino)-N-propylpropanamide
CID 54916358
N-methyl-3-(propan-2-ylamino)-N',N'-bis(prop-2-enyl)propanehydrazide
CID 87500885
N-methyl-N-(2-methylsulfonylethyl)-3-(propan-2-ylamino)propanamide
CID 79859155
2-[propan-2-yl-[3-(propan-2-ylamino)propanoyl]amino]acetic acid
CID 61162403
3-(propan-2-ylamino)propanamide
CID 18768059
N-methyl-N-(2-methylpropyl)-5-(propan-2-ylamino)pentanamide
CID 165153495
N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-3-(propan-2-ylamino)propanamide
CID 60946665
2,7-dimethyloctane-3,6-dione;4-methyl-1-[methyl(propan-2-yl)amino]pentan-3-one;4-methyl-1-(propan-2-ylamino)pentan-3-one
CID 159299967

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylbutan-2-yl)-3-(propan-2-ylamino)propanamide?
The IUPAC name of N-methyl-N-(3-methylbutan-2-yl)-3-(propan-2-ylamino)propanamide (CID 60854332) is N-methyl-N-(3-methylbutan-2-yl)-3-(propan-2-ylamino)propanamide.
What is the SMILES notation for N-methyl-N-(3-methylbutan-2-yl)-3-(propan-2-ylamino)propanamide?
The canonical SMILES for N-methyl-N-(3-methylbutan-2-yl)-3-(propan-2-ylamino)propanamide is CC(C)NCCC(=O)N(C)C(C)C(C)C.
What is the InChIKey of N-methyl-N-(3-methylbutan-2-yl)-3-(propan-2-ylamino)propanamide?
The InChIKey is GWDMBWNTIOSWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-9(2)11(5)14(6)12(15)7-8-13-10(3)4/h9-11,13H,7-8H2,1-6H3.
What are the key properties of N-methyl-N-(3-methylbutan-2-yl)-3-(propan-2-ylamino)propanamide?
N-methyl-N-(3-methylbutan-2-yl)-3-(propan-2-ylamino)propanamide has a molecular weight of 214.35 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylbutan-2-yl)-3-(propan-2-ylamino)propanamide is sourced from PubChem (CID 60854332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).