1-(3-aminopropyl)-1-cyclopropyl-3,3-diethylurea

C11H23N3O — CID 79154786

IUPAC1-(3-aminopropyl)-1-cyclopropyl-3,3-diethylurea
SMILESCCN(CC)C(=O)N(CCCN)C1CC1
InChIInChI=1S/C11H23N3O/c1-3-13(4-2)11(15)14(9-5-8-12)10-6-7-10/h10H,3-9,12H2,1-2H3
InChIKeyQRWDTQYPHVRWPP-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.26
Rot. Bonds6

About 1-(3-aminopropyl)-1-cyclopropyl-3,3-diethylurea

1-(3-aminopropyl)-1-cyclopropyl-3,3-diethylurea (PubChem CID 79154786) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-(3-aminopropyl)-1-cyclopropyl-3,3-diethylurea.

Molecular Properties

Compound Name1-(3-aminopropyl)-1-cyclopropyl-3,3-diethylurea
PubChem CID79154786
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name1-(3-aminopropyl)-1-cyclopropyl-3,3-diethylurea
SMILESCCN(CC)C(=O)N(CCCN)C1CC1
InChIInChI=1S/C11H23N3O/c1-3-13(4-2)11(15)14(9-5-8-12)10-6-7-10/h10H,3-9,12H2,1-2H3
InChIKeyQRWDTQYPHVRWPP-UHFFFAOYSA-N
XLogP1.26
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-1-cyclopropyl-3,3-diethylurea?
The IUPAC name of 1-(3-aminopropyl)-1-cyclopropyl-3,3-diethylurea (CID 79154786) is 1-(3-aminopropyl)-1-cyclopropyl-3,3-diethylurea.
What is the SMILES notation for 1-(3-aminopropyl)-1-cyclopropyl-3,3-diethylurea?
The canonical SMILES for 1-(3-aminopropyl)-1-cyclopropyl-3,3-diethylurea is CCN(CC)C(=O)N(CCCN)C1CC1.
What is the InChIKey of 1-(3-aminopropyl)-1-cyclopropyl-3,3-diethylurea?
The InChIKey is QRWDTQYPHVRWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-3-13(4-2)11(15)14(9-5-8-12)10-6-7-10/h10H,3-9,12H2,1-2H3.
What are the key properties of 1-(3-aminopropyl)-1-cyclopropyl-3,3-diethylurea?
1-(3-aminopropyl)-1-cyclopropyl-3,3-diethylurea has a molecular weight of 213.32 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-1-cyclopropyl-3,3-diethylurea is sourced from PubChem (CID 79154786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).