N-tert-butyl-2-[propyl(pyrrolidin-3-yl)amino]propanamide

C14H29N3O — CID 63304566

IUPACN-tert-butyl-2-[propyl(pyrrolidin-3-yl)amino]propanamide
SMILESCCCN(C1CCNC1)C(C)C(=O)NC(C)(C)C
InChIInChI=1S/C14H29N3O/c1-6-9-17(12-7-8-15-10-12)11(2)13(18)16-14(3,4)5/h11-12,15H,6-10H2,1-5H3,(H,16,18)
InChIKeyRMTDZEQBRGYVPL-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.36
Rot. Bonds5

About N-tert-butyl-2-[propyl(pyrrolidin-3-yl)amino]propanamide

N-tert-butyl-2-[propyl(pyrrolidin-3-yl)amino]propanamide (PubChem CID 63304566) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is N-tert-butyl-2-[propyl(pyrrolidin-3-yl)amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[propyl(pyrrolidin-3-yl)amino]propanamide
PubChem CID63304566
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC NameN-tert-butyl-2-[propyl(pyrrolidin-3-yl)amino]propanamide
SMILESCCCN(C1CCNC1)C(C)C(=O)NC(C)(C)C
InChIInChI=1S/C14H29N3O/c1-6-9-17(12-7-8-15-10-12)11(2)13(18)16-14(3,4)5/h11-12,15H,6-10H2,1-5H3,(H,16,18)
InChIKeyRMTDZEQBRGYVPL-UHFFFAOYSA-N
XLogP1.36
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-2-[propyl(pyrrolidin-3-yl)amino]propanamide
CID 63304037
N-tert-butyl-2-[ethyl(piperidin-3-yl)amino]propanamide
CID 55244726
N-butan-2-yl-2-[piperidin-4-yl(propyl)amino]propanamide
CID 60807515
N-(ethylcarbamoyl)-2-[piperidin-3-yl(propyl)amino]propanamide
CID 63637325
N-tert-butyl-2-[methyl(piperidin-3-yl)amino]propanamide
CID 63644074
N-(2-methylpentan-3-yl)-N-propylpyrrolidin-3-amine
CID 63300198
3,4-dimethyl-N-propyl-N-pyrrolidin-3-ylpentanamide
CID 119533162
methyl 2-[ethyl(pyrrolidin-3-yl)amino]propanoate
CID 63299827
2-[(3-amino-3-sulfanylidenepropyl)-cyclopropylamino]-N-tert-butylpropanamide
CID 54997777
3-methyl-2-[piperidin-4-yl(propyl)amino]butanehydrazide
CID 55213284
2-[3-aminopropyl(cyclohexyl)amino]-N-tert-butylpropanamide
CID 43137650
2-[azetidin-3-yl(propyl)amino]propanamide
CID 66216282

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[propyl(pyrrolidin-3-yl)amino]propanamide?
The IUPAC name of N-tert-butyl-2-[propyl(pyrrolidin-3-yl)amino]propanamide (CID 63304566) is N-tert-butyl-2-[propyl(pyrrolidin-3-yl)amino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[propyl(pyrrolidin-3-yl)amino]propanamide?
The canonical SMILES for N-tert-butyl-2-[propyl(pyrrolidin-3-yl)amino]propanamide is CCCN(C1CCNC1)C(C)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[propyl(pyrrolidin-3-yl)amino]propanamide?
The InChIKey is RMTDZEQBRGYVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-6-9-17(12-7-8-15-10-12)11(2)13(18)16-14(3,4)5/h11-12,15H,6-10H2,1-5H3,(H,16,18).
What are the key properties of N-tert-butyl-2-[propyl(pyrrolidin-3-yl)amino]propanamide?
N-tert-butyl-2-[propyl(pyrrolidin-3-yl)amino]propanamide has a molecular weight of 255.41 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[propyl(pyrrolidin-3-yl)amino]propanamide is sourced from PubChem (CID 63304566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).