N-[2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]ethyl]acetamide

C12H25N3O — CID 106614697

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

About N-[2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]ethyl]acetamide

N-[2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]ethyl]acetamide (PubChem CID 106614697) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is N-[2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]ethyl]acetamide
PubChem CID106614697
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC NameN-[2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]ethyl]acetamide
SMILESCC(=O)NCCN(CC1CCCN1)C(C)C
InChIInChI=1S/C12H25N3O/c1-10(2)15(8-7-13-11(3)16)9-12-5-4-6-14-12/h10,12,14H,4-9H2,1-3H3,(H,13,16)
InChIKeyFYJBNBHMUTWIPI-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-(methylcarbamoyl)-3-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propanamide
CID 106614633
4-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]butan-1-ol
CID 106614415
2-[propan-2-yl-[[(2R)-pyrrolidin-2-yl]methyl]amino]acetamide
CID 102819407
3-[piperidin-2-ylmethyl(propan-2-yl)amino]propanamide
CID 106632108
N-(ethylcarbamoyl)-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106614699
2-[piperidin-2-ylmethyl(propan-2-yl)amino]-N-propylacetamide
CID 106632199
N-ethyl-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 43265935
(2R)-1-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propan-2-ol
CID 106933690
N-[2-(2-methoxyethoxy)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106614604
2-methyl-3-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propan-1-ol
CID 106614823
N-[2-[ethyl(propan-2-yl)amino]ethyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119874329
2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-pentylpropanamide
CID 106615376

Frequently Asked Questions

What is the IUPAC name of N-[2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]ethyl]acetamide?
The IUPAC name of N-[2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]ethyl]acetamide (CID 106614697) is N-[2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]ethyl]acetamide?
The canonical SMILES for N-[2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]ethyl]acetamide is CC(=O)NCCN(CC1CCCN1)C(C)C.
What is the InChIKey of N-[2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]ethyl]acetamide?
The InChIKey is FYJBNBHMUTWIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-10(2)15(8-7-13-11(3)16)9-12-5-4-6-14-12/h10,12,14H,4-9H2,1-3H3,(H,13,16).
What are the key properties of N-[2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]ethyl]acetamide?
N-[2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]ethyl]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-[2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]ethyl]acetamide is sourced from PubChem (CID 106614697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).