N-[(1-tert-butylazetidin-3-yl)methyl]azetidine-3-carboxamide

C12H23N3O — CID 89460434

IUPACN-[(1-tert-butylazetidin-3-yl)methyl]azetidine-3-carboxamide
SMILESCC(C)(C)N1CC(CNC(=O)C2CNC2)C1
InChIInChI=1S/C12H23N3O/c1-12(2,3)15-7-9(8-15)4-14-11(16)10-5-13-6-10/h9-10,13H,4-8H2,1-3H3,(H,14,16)
InChIKeyUHCVGMIZOXJEMU-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.05
Rot. Bonds3

About N-[(1-tert-butylazetidin-3-yl)methyl]azetidine-3-carboxamide

N-[(1-tert-butylazetidin-3-yl)methyl]azetidine-3-carboxamide (PubChem CID 89460434) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is N-[(1-tert-butylazetidin-3-yl)methyl]azetidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-tert-butylazetidin-3-yl)methyl]azetidine-3-carboxamide
PubChem CID89460434
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC NameN-[(1-tert-butylazetidin-3-yl)methyl]azetidine-3-carboxamide
SMILESCC(C)(C)N1CC(CNC(=O)C2CNC2)C1
InChIInChI=1S/C12H23N3O/c1-12(2,3)15-7-9(8-15)4-14-11(16)10-5-13-6-10/h9-10,13H,4-8H2,1-3H3,(H,14,16)
InChIKeyUHCVGMIZOXJEMU-UHFFFAOYSA-N
XLogP0.05
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]azetidine-3-carboxamide
CID 92632000
N-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidine-3-carboxamide
CID 63006550
(3R)-N-(azetidin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 131181581
N-(cyclopentylmethyl)piperidine-3-carboxamide
CID 43371173
(3S)-N-(cyclopentylmethyl)piperidine-3-carboxamide
CID 81123262
(3R,4R)-N-(azetidin-3-yl)-1-tert-butyl-4-methylpyrrolidine-3-carboxamide
CID 126550954
1-tert-butyl-N-(2-cyanoethyl)azetidine-3-carboxamide
CID 166844219
N-(1-amino-2-methylpropan-2-yl)azetidine-3-carboxamide
CID 130616999
N-[(3-aminocyclopentyl)methyl]-4-tert-butylcyclohexane-1-carboxamide
CID 106121672
N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119884497
N-(piperidin-3-ylmethyl)cyclohexanecarboxamide
CID 18069614
N-[(1-cyanoazetidin-3-yl)methyl]cyclohexanecarboxamide
CID 10198366

Frequently Asked Questions

What is the IUPAC name of N-[(1-tert-butylazetidin-3-yl)methyl]azetidine-3-carboxamide?
The IUPAC name of N-[(1-tert-butylazetidin-3-yl)methyl]azetidine-3-carboxamide (CID 89460434) is N-[(1-tert-butylazetidin-3-yl)methyl]azetidine-3-carboxamide.
What is the SMILES notation for N-[(1-tert-butylazetidin-3-yl)methyl]azetidine-3-carboxamide?
The canonical SMILES for N-[(1-tert-butylazetidin-3-yl)methyl]azetidine-3-carboxamide is CC(C)(C)N1CC(CNC(=O)C2CNC2)C1.
What is the InChIKey of N-[(1-tert-butylazetidin-3-yl)methyl]azetidine-3-carboxamide?
The InChIKey is UHCVGMIZOXJEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-12(2,3)15-7-9(8-15)4-14-11(16)10-5-13-6-10/h9-10,13H,4-8H2,1-3H3,(H,14,16).
What are the key properties of N-[(1-tert-butylazetidin-3-yl)methyl]azetidine-3-carboxamide?
N-[(1-tert-butylazetidin-3-yl)methyl]azetidine-3-carboxamide has a molecular weight of 225.34 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-tert-butylazetidin-3-yl)methyl]azetidine-3-carboxamide is sourced from PubChem (CID 89460434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).