N-cyclopropyl-N'-[3-(dimethylamino)propyl]-2,2-dimethylpropanediamide

C13H25N3O2 — CID 108957385

IUPACN-cyclopropyl-N'-[3-(dimethylamino)propyl]-2,2-dimethylpropanediamide
SMILESCN(C)CCCNC(=O)C(C)(C)C(=O)NC1CC1
InChIInChI=1S/C13H25N3O2/c1-13(2,12(18)15-10-6-7-10)11(17)14-8-5-9-16(3)4/h10H,5-9H2,1-4H3,(H,14,17)(H,15,18)
InChIKeyPFGIWSYLUWWMLS-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.36
Rot. Bonds7

About N-cyclopropyl-N'-[3-(dimethylamino)propyl]-2,2-dimethylpropanediamide

N-cyclopropyl-N'-[3-(dimethylamino)propyl]-2,2-dimethylpropanediamide (PubChem CID 108957385) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-cyclopropyl-N'-[3-(dimethylamino)propyl]-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-cyclopropyl-N'-[3-(dimethylamino)propyl]-2,2-dimethylpropanediamide
PubChem CID108957385
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN-cyclopropyl-N'-[3-(dimethylamino)propyl]-2,2-dimethylpropanediamide
SMILESCN(C)CCCNC(=O)C(C)(C)C(=O)NC1CC1
InChIInChI=1S/C13H25N3O2/c1-13(2,12(18)15-10-6-7-10)11(17)14-8-5-9-16(3)4/h10H,5-9H2,1-4H3,(H,14,17)(H,15,18)
InChIKeyPFGIWSYLUWWMLS-UHFFFAOYSA-N
XLogP0.36
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.36
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-cycloheptyl-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide
CID 108960232
N-cyclopropyl-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide
CID 108957380
N'-cyclopropyl-N-[3-(dimethylamino)propyl]propanediamide
CID 108940978
N-[3-(dimethylamino)propyl]-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide
CID 108959445
N-[3-(dimethylamino)propyl]-2,2-dimethyl-N'-(3-methylbutyl)propanediamide
CID 108960555
N-[3-(dimethylamino)propyl]-2-methyl-2-methylphosphanylpropanamide
CID 176552020
N-[3-(dimethylamino)propyl]-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108960576
N-cyclopropyl-4-(dimethylamino)butanamide
CID 66617173
N-(4-bromophenyl)-N'-[3-(dimethylamino)propyl]-2,2-dimethylpropanediamide
CID 108960603
3-N-cyclopropyl-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide
CID 109050681
2-bromo-N-[4-(dimethylamino)butyl]-2-methylpropanamide
CID 114328555
N'-cyclopropyl-N-[2-(dimethylamino)ethyl]oxamide
CID 3312354

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-[3-(dimethylamino)propyl]-2,2-dimethylpropanediamide?
The IUPAC name of N-cyclopropyl-N'-[3-(dimethylamino)propyl]-2,2-dimethylpropanediamide (CID 108957385) is N-cyclopropyl-N'-[3-(dimethylamino)propyl]-2,2-dimethylpropanediamide.
What is the SMILES notation for N-cyclopropyl-N'-[3-(dimethylamino)propyl]-2,2-dimethylpropanediamide?
The canonical SMILES for N-cyclopropyl-N'-[3-(dimethylamino)propyl]-2,2-dimethylpropanediamide is CN(C)CCCNC(=O)C(C)(C)C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-N'-[3-(dimethylamino)propyl]-2,2-dimethylpropanediamide?
The InChIKey is PFGIWSYLUWWMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-13(2,12(18)15-10-6-7-10)11(17)14-8-5-9-16(3)4/h10H,5-9H2,1-4H3,(H,14,17)(H,15,18).
What are the key properties of N-cyclopropyl-N'-[3-(dimethylamino)propyl]-2,2-dimethylpropanediamide?
N-cyclopropyl-N'-[3-(dimethylamino)propyl]-2,2-dimethylpropanediamide has a molecular weight of 255.36 g/mol, XLogP of 0.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-[3-(dimethylamino)propyl]-2,2-dimethylpropanediamide is sourced from PubChem (CID 108957385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).