1-(2-aminoethyl)-1-pentan-3-yl-3-propan-2-ylurea

C11H25N3O — CID 63766748

IUPAC1-(2-aminoethyl)-1-pentan-3-yl-3-propan-2-ylurea
SMILESCCC(CC)N(CCN)C(=O)NC(C)C
InChIInChI=1S/C11H25N3O/c1-5-10(6-2)14(8-7-12)11(15)13-9(3)4/h9-10H,5-8,12H2,1-4H3,(H,13,15)
InChIKeyBAWCZHHOPFWQCV-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.55
Rot. Bonds6

About 1-(2-aminoethyl)-1-pentan-3-yl-3-propan-2-ylurea

1-(2-aminoethyl)-1-pentan-3-yl-3-propan-2-ylurea (PubChem CID 63766748) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-(2-aminoethyl)-1-pentan-3-yl-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(2-aminoethyl)-1-pentan-3-yl-3-propan-2-ylurea
PubChem CID63766748
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name1-(2-aminoethyl)-1-pentan-3-yl-3-propan-2-ylurea
SMILESCCC(CC)N(CCN)C(=O)NC(C)C
InChIInChI=1S/C11H25N3O/c1-5-10(6-2)14(8-7-12)11(15)13-9(3)4/h9-10H,5-8,12H2,1-4H3,(H,13,15)
InChIKeyBAWCZHHOPFWQCV-UHFFFAOYSA-N
XLogP1.55
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(2-aminoethyl)-1-pentan-3-yl-3-propan-2-ylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-1-pentan-3-yl-3-propan-2-ylurea?
The IUPAC name of 1-(2-aminoethyl)-1-pentan-3-yl-3-propan-2-ylurea (CID 63766748) is 1-(2-aminoethyl)-1-pentan-3-yl-3-propan-2-ylurea.
What is the SMILES notation for 1-(2-aminoethyl)-1-pentan-3-yl-3-propan-2-ylurea?
The canonical SMILES for 1-(2-aminoethyl)-1-pentan-3-yl-3-propan-2-ylurea is CCC(CC)N(CCN)C(=O)NC(C)C.
What is the InChIKey of 1-(2-aminoethyl)-1-pentan-3-yl-3-propan-2-ylurea?
The InChIKey is BAWCZHHOPFWQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-5-10(6-2)14(8-7-12)11(15)13-9(3)4/h9-10H,5-8,12H2,1-4H3,(H,13,15).
What are the key properties of 1-(2-aminoethyl)-1-pentan-3-yl-3-propan-2-ylurea?
1-(2-aminoethyl)-1-pentan-3-yl-3-propan-2-ylurea has a molecular weight of 215.34 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-1-pentan-3-yl-3-propan-2-ylurea is sourced from PubChem (CID 63766748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).