N-[3-(dimethylamino)propyl]-2,2-dimethyl-N'-(3-methylbutyl)propanediamide

C15H31N3O2 — CID 108960555

IUPACN-[3-(dimethylamino)propyl]-2,2-dimethyl-N'-(3-methylbutyl)propanediamide
SMILESCC(C)CCNC(=O)C(C)(C)C(=O)NCCCN(C)C
InChIInChI=1S/C15H31N3O2/c1-12(2)8-10-17-14(20)15(3,4)13(19)16-9-7-11-18(5)6/h12H,7-11H2,1-6H3,(H,16,19)(H,17,20)
InChIKeyOMBIEKIKPVUEES-UHFFFAOYSA-N
MW285.43 g/mol
LogP1.24
Rot. Bonds9

About N-[3-(dimethylamino)propyl]-2,2-dimethyl-N'-(3-methylbutyl)propanediamide

N-[3-(dimethylamino)propyl]-2,2-dimethyl-N'-(3-methylbutyl)propanediamide (PubChem CID 108960555) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2,2-dimethyl-N'-(3-methylbutyl)propanediamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2,2-dimethyl-N'-(3-methylbutyl)propanediamide
PubChem CID108960555
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC NameN-[3-(dimethylamino)propyl]-2,2-dimethyl-N'-(3-methylbutyl)propanediamide
SMILESCC(C)CCNC(=O)C(C)(C)C(=O)NCCCN(C)C
InChIInChI=1S/C15H31N3O2/c1-12(2)8-10-17-14(20)15(3,4)13(19)16-9-7-11-18(5)6/h12H,7-11H2,1-6H3,(H,16,19)(H,17,20)
InChIKeyOMBIEKIKPVUEES-UHFFFAOYSA-N
XLogP1.24
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[3-(dimethylamino)propyl]-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide
CID 108959445
N-cyclopropyl-N'-[3-(dimethylamino)propyl]-2,2-dimethylpropanediamide
CID 108957385
N-[3-(dimethylamino)propyl]-2-methyl-2-methylphosphanylpropanamide
CID 176552020
2-hydroxy-2-methyl-N-(3-methylbutyl)propanamide
CID 104936395
N-[3-(dimethylamino)propyl]-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108960576
2-N-[3-(dimethylamino)propyl]-6-N-(3-methylbutyl)pyridine-2,6-dicarboxamide
CID 109096551
2-[acetyl(3-methylbutyl)amino]-N-[3-(dimethylamino)propyl]acetamide
CID 113166468
N-(4-bromophenyl)-N'-[3-(dimethylamino)propyl]-2,2-dimethylpropanediamide
CID 108960603
2-bromo-N-[4-(dimethylamino)butyl]-2-methylpropanamide
CID 114328555
2-hydroxy-2-methyl-N-(4-methylpentyl)propanamide
CID 104936584
N-(4-acetamidophenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide
CID 108966311
2,2-dimethyl-N-(3-methylbutyl)-N'-(2-phenylethyl)propanediamide
CID 108963827

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2,2-dimethyl-N'-(3-methylbutyl)propanediamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2,2-dimethyl-N'-(3-methylbutyl)propanediamide (CID 108960555) is N-[3-(dimethylamino)propyl]-2,2-dimethyl-N'-(3-methylbutyl)propanediamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2,2-dimethyl-N'-(3-methylbutyl)propanediamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2,2-dimethyl-N'-(3-methylbutyl)propanediamide is CC(C)CCNC(=O)C(C)(C)C(=O)NCCCN(C)C.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2,2-dimethyl-N'-(3-methylbutyl)propanediamide?
The InChIKey is OMBIEKIKPVUEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-12(2)8-10-17-14(20)15(3,4)13(19)16-9-7-11-18(5)6/h12H,7-11H2,1-6H3,(H,16,19)(H,17,20).
What are the key properties of N-[3-(dimethylamino)propyl]-2,2-dimethyl-N'-(3-methylbutyl)propanediamide?
N-[3-(dimethylamino)propyl]-2,2-dimethyl-N'-(3-methylbutyl)propanediamide has a molecular weight of 285.43 g/mol, XLogP of 1.24, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2,2-dimethyl-N'-(3-methylbutyl)propanediamide is sourced from PubChem (CID 108960555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).