1-(4-aminopentan-2-yl)-3-cyclobutylurea

C10H21N3O — CID 116658905

IUPAC1-(4-aminopentan-2-yl)-3-cyclobutylurea
SMILESCC(N)CC(C)NC(=O)NC1CCC1
InChIInChI=1S/C10H21N3O/c1-7(11)6-8(2)12-10(14)13-9-4-3-5-9/h7-9H,3-6,11H2,1-2H3,(H2,12,13,14)
InChIKeyGMCHJHKELPHHPE-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.96
Rot. Bonds4

About 1-(4-aminopentan-2-yl)-3-cyclobutylurea

1-(4-aminopentan-2-yl)-3-cyclobutylurea (PubChem CID 116658905) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 1-(4-aminopentan-2-yl)-3-cyclobutylurea.

Molecular Properties

Compound Name1-(4-aminopentan-2-yl)-3-cyclobutylurea
PubChem CID116658905
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name1-(4-aminopentan-2-yl)-3-cyclobutylurea
SMILESCC(N)CC(C)NC(=O)NC1CCC1
InChIInChI=1S/C10H21N3O/c1-7(11)6-8(2)12-10(14)13-9-4-3-5-9/h7-9H,3-6,11H2,1-2H3,(H2,12,13,14)
InChIKeyGMCHJHKELPHHPE-UHFFFAOYSA-N
XLogP0.96
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-bis(4-aminopentan-2-yl)urea
CID 20820352
1-cyclopentyl-3-[(2S)-1-fluoropropan-2-yl]urea
CID 127009415
1-cyclobutyl-3-(4,4,4-trifluorobutan-2-yl)urea
CID 104854890
1-cyclopropyl-3-(4-hydroxybutan-2-yl)urea
CID 78998355
1-cyclopentyl-3-(1-methylsulfanylpropan-2-yl)urea
CID 115640204
5-(cyclobutylcarbamoylamino)hexanoic acid
CID 82848345
1-(4-aminobutan-2-yl)-3-cyclopropylurea
CID 62698349
1-cyclopentyl-3-[1-(dimethylamino)propan-2-yl]urea
CID 116657212
1-butan-2-yl-3-cyclopropylurea
CID 45366532
1-cyclopropyl-3-[(2R)-1-hydroxypropan-2-yl]urea
CID 62950697
(2R)-2-(cyclobutylcarbamoylamino)-4-methylpentanoic acid
CID 62413842
1-cyclobutyl-3-(1-hydroxy-4-methylpentan-2-yl)urea
CID 115730778

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopentan-2-yl)-3-cyclobutylurea?
The IUPAC name of 1-(4-aminopentan-2-yl)-3-cyclobutylurea (CID 116658905) is 1-(4-aminopentan-2-yl)-3-cyclobutylurea.
What is the SMILES notation for 1-(4-aminopentan-2-yl)-3-cyclobutylurea?
The canonical SMILES for 1-(4-aminopentan-2-yl)-3-cyclobutylurea is CC(N)CC(C)NC(=O)NC1CCC1.
What is the InChIKey of 1-(4-aminopentan-2-yl)-3-cyclobutylurea?
The InChIKey is GMCHJHKELPHHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-7(11)6-8(2)12-10(14)13-9-4-3-5-9/h7-9H,3-6,11H2,1-2H3,(H2,12,13,14).
What are the key properties of 1-(4-aminopentan-2-yl)-3-cyclobutylurea?
1-(4-aminopentan-2-yl)-3-cyclobutylurea has a molecular weight of 199.30 g/mol, XLogP of 0.96, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopentan-2-yl)-3-cyclobutylurea is sourced from PubChem (CID 116658905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).