1-(1-aminopropan-2-yl)-3-[2-[2-aminopropylcarbamoyl(methyl)amino]propyl]-1-methylurea

C13H30N6O2 — CID 21030146

IUPAC1-(1-aminopropan-2-yl)-3-[2-[2-aminopropylcarbamoyl(methyl)amino]propyl]-1-methylurea
SMILESCC(N)CNC(=O)N(C)C(C)CNC(=O)N(C)C(C)CN
InChIInChI=1S/C13H30N6O2/c1-9(15)7-16-12(20)19(5)11(3)8-17-13(21)18(4)10(2)6-14/h9-11H,6-8,14-15H2,1-5H3,(H,16,20)(H,17,21)
InChIKeyGEKJMQNGLDIUCC-UHFFFAOYSA-N
MW302.42 g/mol
LogP-0.65
Rot. Bonds7

About 1-(1-aminopropan-2-yl)-3-[2-[2-aminopropylcarbamoyl(methyl)amino]propyl]-1-methylurea

1-(1-aminopropan-2-yl)-3-[2-[2-aminopropylcarbamoyl(methyl)amino]propyl]-1-methylurea (PubChem CID 21030146) has the molecular formula C13H30N6O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-(1-aminopropan-2-yl)-3-[2-[2-aminopropylcarbamoyl(methyl)amino]propyl]-1-methylurea.

Molecular Properties

Compound Name1-(1-aminopropan-2-yl)-3-[2-[2-aminopropylcarbamoyl(methyl)amino]propyl]-1-methylurea
PubChem CID21030146
Molecular FormulaC13H30N6O2
Molecular Weight302.42 g/mol
Exact Mass302.24
IUPAC Name1-(1-aminopropan-2-yl)-3-[2-[2-aminopropylcarbamoyl(methyl)amino]propyl]-1-methylurea
SMILESCC(N)CNC(=O)N(C)C(C)CNC(=O)N(C)C(C)CN
InChIInChI=1S/C13H30N6O2/c1-9(15)7-16-12(20)19(5)11(3)8-17-13(21)18(4)10(2)6-14/h9-11H,6-8,14-15H2,1-5H3,(H,16,20)(H,17,21)
InChIKeyGEKJMQNGLDIUCC-UHFFFAOYSA-N
XLogP-0.65
TPSA116.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 5-0.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-aminopropan-2-yl)-3-[2-[2-aminopropylcarbamoyl(methyl)amino]propyl]-1-methylurea?
The IUPAC name of 1-(1-aminopropan-2-yl)-3-[2-[2-aminopropylcarbamoyl(methyl)amino]propyl]-1-methylurea (CID 21030146) is 1-(1-aminopropan-2-yl)-3-[2-[2-aminopropylcarbamoyl(methyl)amino]propyl]-1-methylurea.
What is the SMILES notation for 1-(1-aminopropan-2-yl)-3-[2-[2-aminopropylcarbamoyl(methyl)amino]propyl]-1-methylurea?
The canonical SMILES for 1-(1-aminopropan-2-yl)-3-[2-[2-aminopropylcarbamoyl(methyl)amino]propyl]-1-methylurea is CC(N)CNC(=O)N(C)C(C)CNC(=O)N(C)C(C)CN.
What is the InChIKey of 1-(1-aminopropan-2-yl)-3-[2-[2-aminopropylcarbamoyl(methyl)amino]propyl]-1-methylurea?
The InChIKey is GEKJMQNGLDIUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N6O2/c1-9(15)7-16-12(20)19(5)11(3)8-17-13(21)18(4)10(2)6-14/h9-11H,6-8,14-15H2,1-5H3,(H,16,20)(H,17,21).
What are the key properties of 1-(1-aminopropan-2-yl)-3-[2-[2-aminopropylcarbamoyl(methyl)amino]propyl]-1-methylurea?
1-(1-aminopropan-2-yl)-3-[2-[2-aminopropylcarbamoyl(methyl)amino]propyl]-1-methylurea has a molecular weight of 302.42 g/mol, XLogP of -0.65, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminopropan-2-yl)-3-[2-[2-aminopropylcarbamoyl(methyl)amino]propyl]-1-methylurea is sourced from PubChem (CID 21030146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).