4-(methylamino)-N-(2-methylpropyl)-N-propan-2-ylbutanamide

C12H26N2O — CID 60946124

IUPAC4-(methylamino)-N-(2-methylpropyl)-N-propan-2-ylbutanamide
SMILESCNCCCC(=O)N(CC(C)C)C(C)C
InChIInChI=1S/C12H26N2O/c1-10(2)9-14(11(3)4)12(15)7-6-8-13-5/h10-11,13H,6-9H2,1-5H3
InChIKeyWQXWUSTZTUVNIB-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.88
Rot. Bonds7

About 4-(methylamino)-N-(2-methylpropyl)-N-propan-2-ylbutanamide

4-(methylamino)-N-(2-methylpropyl)-N-propan-2-ylbutanamide (PubChem CID 60946124) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 4-(methylamino)-N-(2-methylpropyl)-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name4-(methylamino)-N-(2-methylpropyl)-N-propan-2-ylbutanamide
PubChem CID60946124
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name4-(methylamino)-N-(2-methylpropyl)-N-propan-2-ylbutanamide
SMILESCNCCCC(=O)N(CC(C)C)C(C)C
InChIInChI=1S/C12H26N2O/c1-10(2)9-14(11(3)4)12(15)7-6-8-13-5/h10-11,13H,6-9H2,1-5H3
InChIKeyWQXWUSTZTUVNIB-UHFFFAOYSA-N
XLogP1.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

Computed Properties (RDKit)

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

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Related Compounds

5-[2-methylpropyl(propan-2-yl)amino]-5-oxopentanoic acid
CID 23588339
5-amino-N-(2-methylpropyl)-N-propan-2-ylpentanamide
CID 23588366
N-(2-cyanoethyl)-4-(methylamino)-N-propan-2-ylbutanamide
CID 60841146
4-(methylamino)-N,N-bis(3-methylbutyl)butanamide;hydrochloride
CID 119672594
N-(2-methylpropyl)-N-propan-2-yl-3-sulfanylpropanamide
CID 107026462
2-chloro-N-(2-methylpropyl)-N-propan-2-ylacetamide
CID 60809013
8-methyl-1-(methylamino)nonan-4-one
CID 116555639
N-(2-cyanoethyl)-4-(methylamino)-N-(2-methylpropyl)butanamide
CID 60964117
N,N-dimethyl-4-(methylamino)butanamide;ethane
CID 163270647
methyl 2-methyl-3-[methyl-[4-(methylamino)butanoyl]amino]propanoate
CID 60964013
N-(1-ethylsulfonylpropan-2-yl)-N-methyl-4-(methylamino)butanamide;hydrochloride
CID 119786350
3-amino-N-(2-methylpropyl)-N-propan-2-ylbutanamide
CID 60946125

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-(2-methylpropyl)-N-propan-2-ylbutanamide?
The IUPAC name of 4-(methylamino)-N-(2-methylpropyl)-N-propan-2-ylbutanamide (CID 60946124) is 4-(methylamino)-N-(2-methylpropyl)-N-propan-2-ylbutanamide.
What is the SMILES notation for 4-(methylamino)-N-(2-methylpropyl)-N-propan-2-ylbutanamide?
The canonical SMILES for 4-(methylamino)-N-(2-methylpropyl)-N-propan-2-ylbutanamide is CNCCCC(=O)N(CC(C)C)C(C)C.
What is the InChIKey of 4-(methylamino)-N-(2-methylpropyl)-N-propan-2-ylbutanamide?
The InChIKey is WQXWUSTZTUVNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-10(2)9-14(11(3)4)12(15)7-6-8-13-5/h10-11,13H,6-9H2,1-5H3.
What are the key properties of 4-(methylamino)-N-(2-methylpropyl)-N-propan-2-ylbutanamide?
4-(methylamino)-N-(2-methylpropyl)-N-propan-2-ylbutanamide has a molecular weight of 214.35 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-(2-methylpropyl)-N-propan-2-ylbutanamide is sourced from PubChem (CID 60946124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).