N-[3-[methyl(propan-2-yl)amino]propyl]-3-propan-2-ylpyrrolidine-3-carboxamide

C15H31N3O — CID 106047817

IUPACN-[3-[methyl(propan-2-yl)amino]propyl]-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)N(C)CCCNC(=O)C1(C(C)C)CCNC1
InChIInChI=1S/C15H31N3O/c1-12(2)15(7-9-16-11-15)14(19)17-8-6-10-18(5)13(3)4/h12-13,16H,6-11H2,1-5H3,(H,17,19)
InChIKeyNJWDLLTXASNCSA-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.47
Rot. Bonds7

About N-[3-[methyl(propan-2-yl)amino]propyl]-3-propan-2-ylpyrrolidine-3-carboxamide

N-[3-[methyl(propan-2-yl)amino]propyl]-3-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 106047817) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is N-[3-[methyl(propan-2-yl)amino]propyl]-3-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[methyl(propan-2-yl)amino]propyl]-3-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID106047817
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC NameN-[3-[methyl(propan-2-yl)amino]propyl]-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)N(C)CCCNC(=O)C1(C(C)C)CCNC1
InChIInChI=1S/C15H31N3O/c1-12(2)15(7-9-16-11-15)14(19)17-8-6-10-18(5)13(3)4/h12-13,16H,6-11H2,1-5H3,(H,17,19)
InChIKeyNJWDLLTXASNCSA-UHFFFAOYSA-N
XLogP1.47
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[methyl(propan-2-yl)amino]ethyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980592
N-(5-amino-5-oxopentyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 114162039
N-pent-3-ynyl-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981317
N-(2,2-dimethylpropyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980333
1-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]cyclopentane-1-carboxamide
CID 114140196
N-ethylsulfonyl-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981399
N-(2-morpholin-4-ylethyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979565
N-[2-(1H-imidazol-2-yl)ethyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981293
3-propan-2-ylpyrrolidine-3-carbohydrazide
CID 106980734
N-(2-cyanopropyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980594
3-propan-2-yl-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide
CID 106979981
N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979756

Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl(propan-2-yl)amino]propyl]-3-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-[3-[methyl(propan-2-yl)amino]propyl]-3-propan-2-ylpyrrolidine-3-carboxamide (CID 106047817) is N-[3-[methyl(propan-2-yl)amino]propyl]-3-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-[methyl(propan-2-yl)amino]propyl]-3-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-[methyl(propan-2-yl)amino]propyl]-3-propan-2-ylpyrrolidine-3-carboxamide is CC(C)N(C)CCCNC(=O)C1(C(C)C)CCNC1.
What is the InChIKey of N-[3-[methyl(propan-2-yl)amino]propyl]-3-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is NJWDLLTXASNCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-12(2)15(7-9-16-11-15)14(19)17-8-6-10-18(5)13(3)4/h12-13,16H,6-11H2,1-5H3,(H,17,19).
What are the key properties of N-[3-[methyl(propan-2-yl)amino]propyl]-3-propan-2-ylpyrrolidine-3-carboxamide?
N-[3-[methyl(propan-2-yl)amino]propyl]-3-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 269.43 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl(propan-2-yl)amino]propyl]-3-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106047817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).