N-[4-(dimethylamino)butan-2-yl]pyrrolidine-1-carboxamide

C11H23N3O — CID 115596643

IUPACN-[4-(dimethylamino)butan-2-yl]pyrrolidine-1-carboxamide
SMILESCC(CCN(C)C)NC(=O)N1CCCC1
InChIInChI=1S/C11H23N3O/c1-10(6-9-13(2)3)12-11(15)14-7-4-5-8-14/h10H,4-9H2,1-3H3,(H,12,15)
InChIKeyMUZYZRPZARCVGJ-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.13
Rot. Bonds4

About N-[4-(dimethylamino)butan-2-yl]pyrrolidine-1-carboxamide

N-[4-(dimethylamino)butan-2-yl]pyrrolidine-1-carboxamide (PubChem CID 115596643) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is N-[4-(dimethylamino)butan-2-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)butan-2-yl]pyrrolidine-1-carboxamide
PubChem CID115596643
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC NameN-[4-(dimethylamino)butan-2-yl]pyrrolidine-1-carboxamide
SMILESCC(CCN(C)C)NC(=O)N1CCCC1
InChIInChI=1S/C11H23N3O/c1-10(6-9-13(2)3)12-11(15)14-7-4-5-8-14/h10H,4-9H2,1-3H3,(H,12,15)
InChIKeyMUZYZRPZARCVGJ-UHFFFAOYSA-N
XLogP1.13
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(dimethylamino)propan-2-yl]piperidine-1-carboxamide
CID 116657221
N-butan-2-ylpyrrolidine-1-carboxamide
CID 17217776
N-pentan-2-ylazepane-1-carboxamide
CID 115583076
2-[1-[4-(dimethylamino)butan-2-ylcarbamoyl]piperidin-4-yl]oxyacetic acid
CID 63876453
N-(1-hydroxypropan-2-yl)azepane-1-carboxamide
CID 112729482
N-pent-4-yn-2-ylazepane-1-carboxamide
CID 115667497
N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-1-carboxamide
CID 115590525
N-[(2R)-1-aminopropan-2-yl]azepane-1-carboxamide
CID 96683108
N-heptan-2-ylpiperidine-1-carboxamide
CID 115578841
N-octan-2-ylpyrrolidine-1-carboxamide
CID 56808053
N-(1-piperidin-1-ylpropan-2-yl)azepane-1-carboxamide
CID 115583840
N-(1-piperidin-1-ylpropan-2-yl)piperidine-1-carboxamide
CID 115579823

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)butan-2-yl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[4-(dimethylamino)butan-2-yl]pyrrolidine-1-carboxamide (CID 115596643) is N-[4-(dimethylamino)butan-2-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)butan-2-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)butan-2-yl]pyrrolidine-1-carboxamide is CC(CCN(C)C)NC(=O)N1CCCC1.
What is the InChIKey of N-[4-(dimethylamino)butan-2-yl]pyrrolidine-1-carboxamide?
The InChIKey is MUZYZRPZARCVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-10(6-9-13(2)3)12-11(15)14-7-4-5-8-14/h10H,4-9H2,1-3H3,(H,12,15).
What are the key properties of N-[4-(dimethylamino)butan-2-yl]pyrrolidine-1-carboxamide?
N-[4-(dimethylamino)butan-2-yl]pyrrolidine-1-carboxamide has a molecular weight of 213.32 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)butan-2-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 115596643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).