N-tert-butyl-2-[(1-methylpyrrolidin-3-yl)methylamino]acetamide

C12H25N3O — CID 60856288

IUPACN-tert-butyl-2-[(1-methylpyrrolidin-3-yl)methylamino]acetamide
SMILESCN1CCC(CNCC(=O)NC(C)(C)C)C1
InChIInChI=1S/C12H25N3O/c1-12(2,3)14-11(16)8-13-7-10-5-6-15(4)9-10/h10,13H,5-9H2,1-4H3,(H,14,16)
InChIKeyDRSYHZRPSCPJIQ-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.44
Rot. Bonds4

About N-tert-butyl-2-[(1-methylpyrrolidin-3-yl)methylamino]acetamide

N-tert-butyl-2-[(1-methylpyrrolidin-3-yl)methylamino]acetamide (PubChem CID 60856288) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is N-tert-butyl-2-[(1-methylpyrrolidin-3-yl)methylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(1-methylpyrrolidin-3-yl)methylamino]acetamide
PubChem CID60856288
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC NameN-tert-butyl-2-[(1-methylpyrrolidin-3-yl)methylamino]acetamide
SMILESCN1CCC(CNCC(=O)NC(C)(C)C)C1
InChIInChI=1S/C12H25N3O/c1-12(2,3)14-11(16)8-13-7-10-5-6-15(4)9-10/h10,13H,5-9H2,1-4H3,(H,14,16)
InChIKeyDRSYHZRPSCPJIQ-UHFFFAOYSA-N
XLogP0.44
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]piperidine-1-carboxylate
CID 103730170
N-tert-butyl-2-[[ethylamino-[(1-methylpyrrolidin-3-yl)methylamino]methylidene]amino]acetamide
CID 111384205
N-tert-butyl-2-(piperidin-4-ylmethylamino)acetamide
CID 115356303
N-(3-methylbutyl)-2-[(1-methylpyrrolidin-3-yl)methylamino]acetamide
CID 54956799
N-tert-butyl-2-[(3-hydroxycyclohexyl)methylamino]acetamide
CID 114147779
2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(2-methylbutan-2-yl)acetamide
CID 54955961
N,N'-bis[(1-methylpyrrolidin-3-yl)methyl]-3-oxopentanediamide
CID 20664945
2-amino-2-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 61264835
N-tert-butyl-2-[(1,1-dioxothiolan-2-yl)methylamino]acetamide
CID 81038397
4-[(1-methylpyrrolidin-3-yl)methylamino]butan-2-one
CID 115235752
2-(cyclopropylmethylamino)-N-[(1-methylpiperidin-4-yl)methyl]acetamide;dihydrochloride
CID 119866901
N-tert-butyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119922204

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(1-methylpyrrolidin-3-yl)methylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[(1-methylpyrrolidin-3-yl)methylamino]acetamide (CID 60856288) is N-tert-butyl-2-[(1-methylpyrrolidin-3-yl)methylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(1-methylpyrrolidin-3-yl)methylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[(1-methylpyrrolidin-3-yl)methylamino]acetamide is CN1CCC(CNCC(=O)NC(C)(C)C)C1.
What is the InChIKey of N-tert-butyl-2-[(1-methylpyrrolidin-3-yl)methylamino]acetamide?
The InChIKey is DRSYHZRPSCPJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-12(2,3)14-11(16)8-13-7-10-5-6-15(4)9-10/h10,13H,5-9H2,1-4H3,(H,14,16).
What are the key properties of N-tert-butyl-2-[(1-methylpyrrolidin-3-yl)methylamino]acetamide?
N-tert-butyl-2-[(1-methylpyrrolidin-3-yl)methylamino]acetamide has a molecular weight of 227.35 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(1-methylpyrrolidin-3-yl)methylamino]acetamide is sourced from PubChem (CID 60856288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).