2-[(1-methylpyrrolidin-2-yl)methylamino]-N-(oxan-4-yl)acetamide

C13H25N3O2 — CID 106025288

IUPAC2-[(1-methylpyrrolidin-2-yl)methylamino]-N-(oxan-4-yl)acetamide
SMILESCN1CCCC1CNCC(=O)NC1CCOCC1
InChIInChI=1S/C13H25N3O2/c1-16-6-2-3-12(16)9-14-10-13(17)15-11-4-7-18-8-5-11/h11-12,14H,2-10H2,1H3,(H,15,17)
InChIKeyPBHIPNSGKTUUAV-UHFFFAOYSA-N
MW255.36 g/mol
LogP-0.03
Rot. Bonds5

About 2-[(1-methylpyrrolidin-2-yl)methylamino]-N-(oxan-4-yl)acetamide

2-[(1-methylpyrrolidin-2-yl)methylamino]-N-(oxan-4-yl)acetamide (PubChem CID 106025288) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[(1-methylpyrrolidin-2-yl)methylamino]-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-[(1-methylpyrrolidin-2-yl)methylamino]-N-(oxan-4-yl)acetamide
PubChem CID106025288
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name2-[(1-methylpyrrolidin-2-yl)methylamino]-N-(oxan-4-yl)acetamide
SMILESCN1CCCC1CNCC(=O)NC1CCOCC1
InChIInChI=1S/C13H25N3O2/c1-16-6-2-3-12(16)9-14-10-13(17)15-11-4-7-18-8-5-11/h11-12,14H,2-10H2,1H3,(H,15,17)
InChIKeyPBHIPNSGKTUUAV-UHFFFAOYSA-N
XLogP-0.03
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxan-4-yl)-2-(oxan-4-ylmethylamino)acetamide
CID 63712370
N-cycloheptyl-2-(oxan-4-ylmethylamino)acetamide
CID 63725638
2-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]prop-2-en-1-amine
CID 106025385
1-[(1-methylpiperidin-2-yl)methyl]-3-(oxolan-3-yl)urea
CID 116655203
N-[(1-methylpyrrolidin-2-yl)methyl]oxolan-3-amine
CID 115688929
2-(2-methylpropylamino)-N-(oxan-4-yl)acetamide
CID 63098322
N-(2,6-dichlorophenyl)-2-[(1-methylpyrrolidin-2-yl)methylamino]acetamide
CID 106025192
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(oxan-4-yl)acetamide
CID 78942440
N-(3-methoxypropyl)-2-[(1-methylpyrrolidin-2-yl)methylamino]acetamide
CID 106025675
N-cyclopropyl-2-[(1-methylpyrrolidin-2-yl)methylamino]propanamide
CID 106025328
2-(2-bicyclo[2.2.1]heptanylmethylamino)-N-(oxan-4-yl)acetamide
CID 55232432
N-(oxan-4-yl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide
CID 55180342

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrrolidin-2-yl)methylamino]-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-[(1-methylpyrrolidin-2-yl)methylamino]-N-(oxan-4-yl)acetamide (CID 106025288) is 2-[(1-methylpyrrolidin-2-yl)methylamino]-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-[(1-methylpyrrolidin-2-yl)methylamino]-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-[(1-methylpyrrolidin-2-yl)methylamino]-N-(oxan-4-yl)acetamide is CN1CCCC1CNCC(=O)NC1CCOCC1.
What is the InChIKey of 2-[(1-methylpyrrolidin-2-yl)methylamino]-N-(oxan-4-yl)acetamide?
The InChIKey is PBHIPNSGKTUUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-16-6-2-3-12(16)9-14-10-13(17)15-11-4-7-18-8-5-11/h11-12,14H,2-10H2,1H3,(H,15,17).
What are the key properties of 2-[(1-methylpyrrolidin-2-yl)methylamino]-N-(oxan-4-yl)acetamide?
2-[(1-methylpyrrolidin-2-yl)methylamino]-N-(oxan-4-yl)acetamide has a molecular weight of 255.36 g/mol, XLogP of -0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrrolidin-2-yl)methylamino]-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 106025288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).