1-(2-aminoethyl)-1-pentan-3-yl-3-propylurea

C11H25N3O — CID 63765781

IUPAC1-(2-aminoethyl)-1-pentan-3-yl-3-propylurea
SMILESCCCNC(=O)N(CCN)C(CC)CC
InChIInChI=1S/C11H25N3O/c1-4-8-13-11(15)14(9-7-12)10(5-2)6-3/h10H,4-9,12H2,1-3H3,(H,13,15)
InChIKeyNYSAXJKVBRQHCI-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.56
Rot. Bonds7

About 1-(2-aminoethyl)-1-pentan-3-yl-3-propylurea

1-(2-aminoethyl)-1-pentan-3-yl-3-propylurea (PubChem CID 63765781) 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-propylurea.

Molecular Properties

Compound Name1-(2-aminoethyl)-1-pentan-3-yl-3-propylurea
PubChem CID63765781
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name1-(2-aminoethyl)-1-pentan-3-yl-3-propylurea
SMILESCCCNC(=O)N(CCN)C(CC)CC
InChIInChI=1S/C11H25N3O/c1-4-8-13-11(15)14(9-7-12)10(5-2)6-3/h10H,4-9,12H2,1-3H3,(H,13,15)
InChIKeyNYSAXJKVBRQHCI-UHFFFAOYSA-N
XLogP1.56
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-aminoethyl)-1-pentan-3-yl-3-propan-2-ylurea
CID 63766748
1-(2-aminoethyl)-3-cyclobutyl-1-pentan-3-ylurea
CID 116658882
N-(2-aminoethyl)-2,2-dimethyl-N-pentan-3-ylpropanamide
CID 63754749
(2S)-2-hydroxy-4-[[2-hydroxyethyl(pentan-3-yl)carbamoyl]amino]butanoic acid
CID 114007355
N-(2-aminoethyl)-N-pentan-3-ylazepane-1-carboxamide
CID 79151862
N-(2-aminoethyl)-3,4-dimethyl-N-pentan-3-ylbenzamide
CID 55241197
2-methylpropanoic acid;1-propan-2-yl-1,3-dipropylurea
CID 88699422
2-[2-aminoethyl(propyl)amino]-N-propylpropanamide
CID 61349368
N-(2-aminoethyl)-2-[methyl(pentan-3-yl)amino]acetamide
CID 61209052
N-(2-aminoethyl)-4-methyl-N-pentan-3-ylpiperidine-1-carboxamide
CID 79162308
N-(2-aminoethyl)-3,4,4-trimethyl-N-pentan-3-ylpentanamide
CID 63834573
N-(2-aminoethyl)-N'-methyl-N'-pentan-3-yloxamide
CID 43570583

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-1-pentan-3-yl-3-propylurea?
The IUPAC name of 1-(2-aminoethyl)-1-pentan-3-yl-3-propylurea (CID 63765781) is 1-(2-aminoethyl)-1-pentan-3-yl-3-propylurea.
What is the SMILES notation for 1-(2-aminoethyl)-1-pentan-3-yl-3-propylurea?
The canonical SMILES for 1-(2-aminoethyl)-1-pentan-3-yl-3-propylurea is CCCNC(=O)N(CCN)C(CC)CC.
What is the InChIKey of 1-(2-aminoethyl)-1-pentan-3-yl-3-propylurea?
The InChIKey is NYSAXJKVBRQHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-4-8-13-11(15)14(9-7-12)10(5-2)6-3/h10H,4-9,12H2,1-3H3,(H,13,15).
What are the key properties of 1-(2-aminoethyl)-1-pentan-3-yl-3-propylurea?
1-(2-aminoethyl)-1-pentan-3-yl-3-propylurea has a molecular weight of 215.34 g/mol, XLogP of 1.56, 7 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-propylurea is sourced from PubChem (CID 63765781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).