1-(3-aminopropyl)-3-cyclopropyl-1-ethylurea

C9H19N3O — CID 62698913

IUPAC1-(3-aminopropyl)-3-cyclopropyl-1-ethylurea
SMILESCCN(CCCN)C(=O)NC1CC1
InChIInChI=1S/C9H19N3O/c1-2-12(7-3-6-10)9(13)11-8-4-5-8/h8H,2-7,10H2,1H3,(H,11,13)
InChIKeyIQFYBGLLKXWAKP-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.53
Rot. Bonds5

About 1-(3-aminopropyl)-3-cyclopropyl-1-ethylurea

1-(3-aminopropyl)-3-cyclopropyl-1-ethylurea (PubChem CID 62698913) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-(3-aminopropyl)-3-cyclopropyl-1-ethylurea.

Molecular Properties

Compound Name1-(3-aminopropyl)-3-cyclopropyl-1-ethylurea
PubChem CID62698913
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name1-(3-aminopropyl)-3-cyclopropyl-1-ethylurea
SMILESCCN(CCCN)C(=O)NC1CC1
InChIInChI=1S/C9H19N3O/c1-2-12(7-3-6-10)9(13)11-8-4-5-8/h8H,2-7,10H2,1H3,(H,11,13)
InChIKeyIQFYBGLLKXWAKP-UHFFFAOYSA-N
XLogP0.53
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-3-cyclopropyl-1-ethylurea?
The IUPAC name of 1-(3-aminopropyl)-3-cyclopropyl-1-ethylurea (CID 62698913) is 1-(3-aminopropyl)-3-cyclopropyl-1-ethylurea.
What is the SMILES notation for 1-(3-aminopropyl)-3-cyclopropyl-1-ethylurea?
The canonical SMILES for 1-(3-aminopropyl)-3-cyclopropyl-1-ethylurea is CCN(CCCN)C(=O)NC1CC1.
What is the InChIKey of 1-(3-aminopropyl)-3-cyclopropyl-1-ethylurea?
The InChIKey is IQFYBGLLKXWAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-2-12(7-3-6-10)9(13)11-8-4-5-8/h8H,2-7,10H2,1H3,(H,11,13).
What are the key properties of 1-(3-aminopropyl)-3-cyclopropyl-1-ethylurea?
1-(3-aminopropyl)-3-cyclopropyl-1-ethylurea has a molecular weight of 185.27 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-3-cyclopropyl-1-ethylurea is sourced from PubChem (CID 62698913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).