2-(3-pyrrolidin-1-ylpropylamino)ethylurea

C10H22N4O — CID 83114078

IUPAC2-(3-pyrrolidin-1-ylpropylamino)ethylurea
SMILESNC(=O)NCCNCCCN1CCCC1
InChIInChI=1S/C10H22N4O/c11-10(15)13-6-5-12-4-3-9-14-7-1-2-8-14/h12H,1-9H2,(H3,11,13,15)
InChIKeyWMJPYSJBQADMAW-UHFFFAOYSA-N
MW214.31 g/mol
LogP-0.27
Rot. Bonds7

About 2-(3-pyrrolidin-1-ylpropylamino)ethylurea

2-(3-pyrrolidin-1-ylpropylamino)ethylurea (PubChem CID 83114078) has the molecular formula C10H22N4O and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-(3-pyrrolidin-1-ylpropylamino)ethylurea.

Molecular Properties

Compound Name2-(3-pyrrolidin-1-ylpropylamino)ethylurea
PubChem CID83114078
Molecular FormulaC10H22N4O
Molecular Weight214.31 g/mol
Exact Mass214.18
IUPAC Name2-(3-pyrrolidin-1-ylpropylamino)ethylurea
SMILESNC(=O)NCCNCCCN1CCCC1
InChIInChI=1S/C10H22N4O/c11-10(15)13-6-5-12-4-3-9-14-7-1-2-8-14/h12H,1-9H2,(H3,11,13,15)
InChIKeyWMJPYSJBQADMAW-UHFFFAOYSA-N
XLogP-0.27
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-pyrrolidin-1-ylpropylamino)propanamide
CID 60669793
2-pyrrolidin-1-ylethylurea;dihydrochloride
CID 174538220
4-piperidin-1-yl-N-(3-piperidin-1-ylpropyl)butan-1-amine
CID 142273923
3-pyrrolidin-1-ylpropylcarbamic acid
CID 67998404
2-[3-(azepan-1-yl)propylamino]ethanol
CID 53216056
3-(4-pyrrolidin-1-ylbutylamino)propanoic acid
CID 82316559
1-amino-N-(3-piperidin-1-ylpropyl)cyclobutane-1-carboxamide
CID 81179848
N'-[3-[3-(azacyclotridec-1-yl)propylamino]propyl]butane-1,4-diamine
CID 10992253
3-amino-3-hydroxyimino-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propanamide
CID 76980068
2-(6-hydroxyhexylamino)ethylurea
CID 107703572
3-amino-2-methyl-N-(3-pyrrolidin-1-ylpropyl)-3-sulfanylidenepropanamide
CID 62993392
2-(3-pyrrolidin-1-ylpropylamino)oxyacetamide
CID 112673893

Frequently Asked Questions

What is the IUPAC name of 2-(3-pyrrolidin-1-ylpropylamino)ethylurea?
The IUPAC name of 2-(3-pyrrolidin-1-ylpropylamino)ethylurea (CID 83114078) is 2-(3-pyrrolidin-1-ylpropylamino)ethylurea.
What is the SMILES notation for 2-(3-pyrrolidin-1-ylpropylamino)ethylurea?
The canonical SMILES for 2-(3-pyrrolidin-1-ylpropylamino)ethylurea is NC(=O)NCCNCCCN1CCCC1.
What is the InChIKey of 2-(3-pyrrolidin-1-ylpropylamino)ethylurea?
The InChIKey is WMJPYSJBQADMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O/c11-10(15)13-6-5-12-4-3-9-14-7-1-2-8-14/h12H,1-9H2,(H3,11,13,15).
What are the key properties of 2-(3-pyrrolidin-1-ylpropylamino)ethylurea?
2-(3-pyrrolidin-1-ylpropylamino)ethylurea has a molecular weight of 214.31 g/mol, XLogP of -0.27, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyrrolidin-1-ylpropylamino)ethylurea is sourced from PubChem (CID 83114078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).