2,2-dimethyl-N-[4-[methyl(propan-2-yl)amino]butyl]propanamide

C13H28N2O — CID 71936802

IUPAC2,2-dimethyl-N-[4-[methyl(propan-2-yl)amino]butyl]propanamide
SMILESCC(C)N(C)CCCCNC(=O)C(C)(C)C
InChIInChI=1S/C13H28N2O/c1-11(2)15(6)10-8-7-9-14-12(16)13(3,4)5/h11H,7-10H2,1-6H3,(H,14,16)
InChIKeyZROYFOQZKNNJPP-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.27
Rot. Bonds6

About 2,2-dimethyl-N-[4-[methyl(propan-2-yl)amino]butyl]propanamide

2,2-dimethyl-N-[4-[methyl(propan-2-yl)amino]butyl]propanamide (PubChem CID 71936802) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-[methyl(propan-2-yl)amino]butyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-[methyl(propan-2-yl)amino]butyl]propanamide
PubChem CID71936802
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2,2-dimethyl-N-[4-[methyl(propan-2-yl)amino]butyl]propanamide
SMILESCC(C)N(C)CCCCNC(=O)C(C)(C)C
InChIInChI=1S/C13H28N2O/c1-11(2)15(6)10-8-7-9-14-12(16)13(3,4)5/h11H,7-10H2,1-6H3,(H,14,16)
InChIKeyZROYFOQZKNNJPP-UHFFFAOYSA-N
XLogP2.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.27
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

2-methoxy-2-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]propanamide
CID 113233457
2-amino-2-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide
CID 106047758
3-chloro-2,2-dimethyl-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide
CID 106033672
2-(tert-butylamino)-N-[4-[methyl(propan-2-yl)amino]butyl]acetamide
CID 78958479
2-(aminomethyl)-4,4-dimethyl-N-[4-[methyl(propan-2-yl)amino]butyl]pentanamide
CID 107471993
2-methyl-2-[4-[methyl(propan-2-yl)amino]butylcarbamoylamino]butanoic acid
CID 79801991
2-[tert-butyl-[4-[methyl(propan-2-yl)amino]butylcarbamoyl]amino]acetic acid
CID 79264253
(2S)-2-amino-3,3-dimethyl-N-[3-[methyl(propan-2-yl)amino]propyl]butanamide
CID 114140545
2-carbamothioyl-2-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]butanamide
CID 106035423
(2S)-2-amino-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide
CID 106047587
N'-methyl-N-(3-methylbut-1-en-2-yl)-N'-propan-2-ylbutane-1,4-diamine
CID 146366518
3-(4-aminocyclohexyl)-N-[4-[methyl(propan-2-yl)amino]butyl]propanamide
CID 62781114

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[4-[methyl(propan-2-yl)amino]butyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[4-[methyl(propan-2-yl)amino]butyl]propanamide (CID 71936802) is 2,2-dimethyl-N-[4-[methyl(propan-2-yl)amino]butyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[4-[methyl(propan-2-yl)amino]butyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[4-[methyl(propan-2-yl)amino]butyl]propanamide is CC(C)N(C)CCCCNC(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-[4-[methyl(propan-2-yl)amino]butyl]propanamide?
The InChIKey is ZROYFOQZKNNJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-11(2)15(6)10-8-7-9-14-12(16)13(3,4)5/h11H,7-10H2,1-6H3,(H,14,16).
What are the key properties of 2,2-dimethyl-N-[4-[methyl(propan-2-yl)amino]butyl]propanamide?
2,2-dimethyl-N-[4-[methyl(propan-2-yl)amino]butyl]propanamide has a molecular weight of 228.38 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[4-[methyl(propan-2-yl)amino]butyl]propanamide is sourced from PubChem (CID 71936802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).