1-(3-aminopropyl)-1-cyclopropyl-3-propylurea

C10H21N3O — CID 43137079

IUPAC1-(3-aminopropyl)-1-cyclopropyl-3-propylurea
SMILESCCCNC(=O)N(CCCN)C1CC1
InChIInChI=1S/C10H21N3O/c1-2-7-12-10(14)13(8-3-6-11)9-4-5-9/h9H,2-8,11H2,1H3,(H,12,14)
InChIKeyZAIVVGKSFJXMDI-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.92
Rot. Bonds6

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

1-(3-aminopropyl)-1-cyclopropyl-3-propylurea (PubChem CID 43137079) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 1-(3-aminopropyl)-1-cyclopropyl-3-propylurea.

Molecular Properties

Compound Name1-(3-aminopropyl)-1-cyclopropyl-3-propylurea
PubChem CID43137079
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name1-(3-aminopropyl)-1-cyclopropyl-3-propylurea
SMILESCCCNC(=O)N(CCCN)C1CC1
InChIInChI=1S/C10H21N3O/c1-2-7-12-10(14)13(8-3-6-11)9-4-5-9/h9H,2-8,11H2,1H3,(H,12,14)
InChIKeyZAIVVGKSFJXMDI-UHFFFAOYSA-N
XLogP0.92
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-1-cyclopropyl-3-propylurea?
The IUPAC name of 1-(3-aminopropyl)-1-cyclopropyl-3-propylurea (CID 43137079) is 1-(3-aminopropyl)-1-cyclopropyl-3-propylurea.
What is the SMILES notation for 1-(3-aminopropyl)-1-cyclopropyl-3-propylurea?
The canonical SMILES for 1-(3-aminopropyl)-1-cyclopropyl-3-propylurea is CCCNC(=O)N(CCCN)C1CC1.
What is the InChIKey of 1-(3-aminopropyl)-1-cyclopropyl-3-propylurea?
The InChIKey is ZAIVVGKSFJXMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-2-7-12-10(14)13(8-3-6-11)9-4-5-9/h9H,2-8,11H2,1H3,(H,12,14).
What are the key properties of 1-(3-aminopropyl)-1-cyclopropyl-3-propylurea?
1-(3-aminopropyl)-1-cyclopropyl-3-propylurea has a molecular weight of 199.30 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-1-cyclopropyl-3-propylurea is sourced from PubChem (CID 43137079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).