N-butan-2-yl-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide

C12H25N3O — CID 106614096

IUPACN-butan-2-yl-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide
SMILESCCC(C)NC(=O)CN(C)CC1CCCN1
InChIInChI=1S/C12H25N3O/c1-4-10(2)14-12(16)9-15(3)8-11-6-5-7-13-11/h10-11,13H,4-9H2,1-3H3,(H,14,16)
InChIKeyKXGRREMKUUOEHE-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.58
Rot. Bonds6

About N-butan-2-yl-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide

N-butan-2-yl-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide (PubChem CID 106614096) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is N-butan-2-yl-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide
PubChem CID106614096
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC NameN-butan-2-yl-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide
SMILESCCC(C)NC(=O)CN(C)CC1CCCN1
InChIInChI=1S/C12H25N3O/c1-4-10(2)14-12(16)9-15(3)8-11-6-5-7-13-11/h10-11,13H,4-9H2,1-3H3,(H,14,16)
InChIKeyKXGRREMKUUOEHE-UHFFFAOYSA-N
XLogP0.58
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-bromophenyl)ethyl]-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106613634
N-[1-(furan-2-yl)ethyl]-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106614141
N-heptan-2-yl-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106614832
N-butan-2-yl-2-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]propanamide
CID 106617035
N-ethyl-N-methyl-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106614264
N-butan-2-yl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanamide;hydrochloride
CID 119737602
N-methyl-3-[methyl(pyrrolidin-2-ylmethyl)amino]propanamide
CID 106613819
N-cyclohexyl-2-[methyl(pyrrolidin-2-ylmethyl)amino]-N-propan-2-ylacetamide
CID 106613703
N-cyclopropyl-2-[methyl-[2-[methyl(pyrrolidin-2-ylmethyl)amino]acetyl]amino]acetamide
CID 106614156
2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-(1-methoxypropan-2-yl)acetamide
CID 106617890
2-[methyl(piperidin-2-ylmethyl)amino]-N-(3-propan-2-yloxypropyl)acetamide
CID 106635112
2-[methyl(pyrrolidin-2-ylmethyl)amino]-N-(2,4,6-trichlorophenyl)acetamide
CID 106613623

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide?
The IUPAC name of N-butan-2-yl-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide (CID 106614096) is N-butan-2-yl-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-butan-2-yl-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide is CCC(C)NC(=O)CN(C)CC1CCCN1.
What is the InChIKey of N-butan-2-yl-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide?
The InChIKey is KXGRREMKUUOEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-4-10(2)14-12(16)9-15(3)8-11-6-5-7-13-11/h10-11,13H,4-9H2,1-3H3,(H,14,16).
What are the key properties of N-butan-2-yl-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide?
N-butan-2-yl-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide has a molecular weight of 227.35 g/mol, XLogP of 0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 106614096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).