N-[2-(propan-2-ylamino)ethyl]pyrrolidine-1-carboxamide

C10H21N3O — CID 79162037

IUPACN-[2-(propan-2-ylamino)ethyl]pyrrolidine-1-carboxamide
SMILESCC(C)NCCNC(=O)N1CCCC1
InChIInChI=1S/C10H21N3O/c1-9(2)11-5-6-12-10(14)13-7-3-4-8-13/h9,11H,3-8H2,1-2H3,(H,12,14)
InChIKeyRKGQSVCAZJSKTP-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.79
Rot. Bonds4

About N-[2-(propan-2-ylamino)ethyl]pyrrolidine-1-carboxamide

N-[2-(propan-2-ylamino)ethyl]pyrrolidine-1-carboxamide (PubChem CID 79162037) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is N-[2-(propan-2-ylamino)ethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(propan-2-ylamino)ethyl]pyrrolidine-1-carboxamide
PubChem CID79162037
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC NameN-[2-(propan-2-ylamino)ethyl]pyrrolidine-1-carboxamide
SMILESCC(C)NCCNC(=O)N1CCCC1
InChIInChI=1S/C10H21N3O/c1-9(2)11-5-6-12-10(14)13-7-3-4-8-13/h9,11H,3-8H2,1-2H3,(H,12,14)
InChIKeyRKGQSVCAZJSKTP-UHFFFAOYSA-N
XLogP0.79
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-hydroxypropylamino)ethyl]pyrrolidine-1-carboxamide
CID 104593868
N-(2-acetamidoethyl)piperidine-1-carboxamide
CID 115575266
N-[3-oxo-3-(propan-2-ylamino)propyl]azepane-1-carboxamide
CID 115583768
N-(3-methylbutyl)-1,4-thiazepane-4-carboxamide
CID 86999010
N-(3-methylsulfinylbutyl)piperidine-1-carboxamide
CID 116657935
N-(2-fluoroethyl)piperidine-1-carboxamide
CID 126973652
N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrolidine-1-carboxamide
CID 113221674
N-[2-(cyclopropanecarbonylamino)ethyl]azocane-1-carboxamide
CID 71940931
N-[2-(cyclopropanecarbonylamino)ethyl]azepane-1-carboxamide
CID 113223981
N-[2-(methylamino)propyl]pyrrolidine-1-carboxamide
CID 103512851
N-[3-(butan-2-ylamino)-3-oxopropyl]piperidine-1-carboxamide
CID 113225849
N-[2-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]ethyl]acetamide
CID 43397982

Frequently Asked Questions

What is the IUPAC name of N-[2-(propan-2-ylamino)ethyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[2-(propan-2-ylamino)ethyl]pyrrolidine-1-carboxamide (CID 79162037) is N-[2-(propan-2-ylamino)ethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-(propan-2-ylamino)ethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-(propan-2-ylamino)ethyl]pyrrolidine-1-carboxamide is CC(C)NCCNC(=O)N1CCCC1.
What is the InChIKey of N-[2-(propan-2-ylamino)ethyl]pyrrolidine-1-carboxamide?
The InChIKey is RKGQSVCAZJSKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-9(2)11-5-6-12-10(14)13-7-3-4-8-13/h9,11H,3-8H2,1-2H3,(H,12,14).
What are the key properties of N-[2-(propan-2-ylamino)ethyl]pyrrolidine-1-carboxamide?
N-[2-(propan-2-ylamino)ethyl]pyrrolidine-1-carboxamide has a molecular weight of 199.30 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(propan-2-ylamino)ethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 79162037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).