1-tert-butyl-N-[3-(dimethylamino)propyl]pyrrolidine-3-carboxamide

C14H29N3O — CID 146256240

IUPAC1-tert-butyl-N-[3-(dimethylamino)propyl]pyrrolidine-3-carboxamide
SMILESCN(C)CCCNC(=O)C1CCN(C(C)(C)C)C1
InChIInChI=1S/C14H29N3O/c1-14(2,3)17-10-7-12(11-17)13(18)15-8-6-9-16(4)5/h12H,6-11H2,1-5H3,(H,15,18)
InChIKeyZIASIPFQPHBSBG-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.17
Rot. Bonds5

About 1-tert-butyl-N-[3-(dimethylamino)propyl]pyrrolidine-3-carboxamide

1-tert-butyl-N-[3-(dimethylamino)propyl]pyrrolidine-3-carboxamide (PubChem CID 146256240) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 1-tert-butyl-N-[3-(dimethylamino)propyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-[3-(dimethylamino)propyl]pyrrolidine-3-carboxamide
PubChem CID146256240
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name1-tert-butyl-N-[3-(dimethylamino)propyl]pyrrolidine-3-carboxamide
SMILESCN(C)CCCNC(=O)C1CCN(C(C)(C)C)C1
InChIInChI=1S/C14H29N3O/c1-14(2,3)17-10-7-12(11-17)13(18)15-8-6-9-16(4)5/h12H,6-11H2,1-5H3,(H,15,18)
InChIKeyZIASIPFQPHBSBG-UHFFFAOYSA-N
XLogP1.17
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-acetyl-N-[3-(dimethylamino)propyl]piperidine-3-carboxamide
CID 110686073
4-N-[2-(dimethylamino)ethyl]-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide
CID 109147025
N-[3-(dimethylamino)propyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 113003552
(3R)-1-tert-butyl-N-methylpyrrolidine-3-carboxamide
CID 129035159
N-[2-(dimethylamino)ethyl]-1-methylpyrrolidine-3-carboxamide
CID 110849594
4-(4-acetylpiperazine-1-carbonyl)-N-[3-(dimethylamino)propyl]cyclohexane-1-carboxamide
CID 109147237
tert-butyl 4-[2-(dimethylamino)ethylcarbamoyl]piperidine-1-carboxylate
CID 57496371
N-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 78781141
(3R)-1-butyl-N-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 9397964
1-tert-butyl-N-[3-(tert-butylamino)-3-oxopropyl]piperidine-4-carboxamide
CID 58055825
3-(dodecylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 154961304
2-[(1-tert-butylpiperidine-4-carbonyl)amino]acetic acid
CID 59611625

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-[3-(dimethylamino)propyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-tert-butyl-N-[3-(dimethylamino)propyl]pyrrolidine-3-carboxamide (CID 146256240) is 1-tert-butyl-N-[3-(dimethylamino)propyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-[3-(dimethylamino)propyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-tert-butyl-N-[3-(dimethylamino)propyl]pyrrolidine-3-carboxamide is CN(C)CCCNC(=O)C1CCN(C(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-N-[3-(dimethylamino)propyl]pyrrolidine-3-carboxamide?
The InChIKey is ZIASIPFQPHBSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-14(2,3)17-10-7-12(11-17)13(18)15-8-6-9-16(4)5/h12H,6-11H2,1-5H3,(H,15,18).
What are the key properties of 1-tert-butyl-N-[3-(dimethylamino)propyl]pyrrolidine-3-carboxamide?
1-tert-butyl-N-[3-(dimethylamino)propyl]pyrrolidine-3-carboxamide has a molecular weight of 255.41 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-[3-(dimethylamino)propyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 146256240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).