N-tert-butyl-2-(3-pyrrolidin-1-ylpropylamino)propanamide

C14H29N3O — CID 60677024

IUPACN-tert-butyl-2-(3-pyrrolidin-1-ylpropylamino)propanamide
SMILESCC(NCCCN1CCCC1)C(=O)NC(C)(C)C
InChIInChI=1S/C14H29N3O/c1-12(13(18)16-14(2,3)4)15-8-7-11-17-9-5-6-10-17/h12,15H,5-11H2,1-4H3,(H,16,18)
InChIKeyKFUUWWLNKPDEOU-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.37
Rot. Bonds6

About N-tert-butyl-2-(3-pyrrolidin-1-ylpropylamino)propanamide

N-tert-butyl-2-(3-pyrrolidin-1-ylpropylamino)propanamide (PubChem CID 60677024) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is N-tert-butyl-2-(3-pyrrolidin-1-ylpropylamino)propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-(3-pyrrolidin-1-ylpropylamino)propanamide
PubChem CID60677024
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC NameN-tert-butyl-2-(3-pyrrolidin-1-ylpropylamino)propanamide
SMILESCC(NCCCN1CCCC1)C(=O)NC(C)(C)C
InChIInChI=1S/C14H29N3O/c1-12(13(18)16-14(2,3)4)15-8-7-11-17-9-5-6-10-17/h12,15H,5-11H2,1-4H3,(H,16,18)
InChIKeyKFUUWWLNKPDEOU-UHFFFAOYSA-N
XLogP1.37
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.37
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

2-(3-piperidin-1-ylpropylamino)propanoic acid
CID 66172280
N-pentyl-2-(3-pyrrolidin-1-ylpropylamino)propanamide
CID 60721100
(2S)-N-cyclopentyl-2-(3-pyrrolidin-1-ylpropylamino)propanamide
CID 94827893
2-(3-aminopropylamino)-N-tert-butylpropanamide
CID 62274878
2-(3-morpholin-4-ylpropylamino)-N-propan-2-ylpropanamide
CID 43236665
N-tert-butyl-2-(2-cyclopentylethylamino)propanamide
CID 60734573
N-methyl-2-(3-morpholin-4-ylpropylamino)propanamide
CID 43236781
N,N'-bis(3-methylbutyl)-2-(3-piperidin-1-ylpropylamino)propanediamide
CID 139757133
2-[3-(4-methylpiperazin-1-yl)propylamino]propanoic acid
CID 66172084
(2R)-2-amino-3,3-dimethyl-N-(3-piperidin-1-ylpropyl)butanamide
CID 103928449
2-(2-piperidin-1-ylethylamino)propanoic acid
CID 43467348
N-tert-butyl-2-(2-methylsulfanylethylamino)propanamide
CID 60676629

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(3-pyrrolidin-1-ylpropylamino)propanamide?
The IUPAC name of N-tert-butyl-2-(3-pyrrolidin-1-ylpropylamino)propanamide (CID 60677024) is N-tert-butyl-2-(3-pyrrolidin-1-ylpropylamino)propanamide.
What is the SMILES notation for N-tert-butyl-2-(3-pyrrolidin-1-ylpropylamino)propanamide?
The canonical SMILES for N-tert-butyl-2-(3-pyrrolidin-1-ylpropylamino)propanamide is CC(NCCCN1CCCC1)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(3-pyrrolidin-1-ylpropylamino)propanamide?
The InChIKey is KFUUWWLNKPDEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-12(13(18)16-14(2,3)4)15-8-7-11-17-9-5-6-10-17/h12,15H,5-11H2,1-4H3,(H,16,18).
What are the key properties of N-tert-butyl-2-(3-pyrrolidin-1-ylpropylamino)propanamide?
N-tert-butyl-2-(3-pyrrolidin-1-ylpropylamino)propanamide has a molecular weight of 255.41 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(3-pyrrolidin-1-ylpropylamino)propanamide is sourced from PubChem (CID 60677024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).