1-(4-aminobutan-2-yl)-3-cyclopropylurea

C8H17N3O — CID 62698349

IUPAC1-(4-aminobutan-2-yl)-3-cyclopropylurea
SMILESCC(CCN)NC(=O)NC1CC1
InChIInChI=1S/C8H17N3O/c1-6(4-5-9)10-8(12)11-7-2-3-7/h6-7H,2-5,9H2,1H3,(H2,10,11,12)
InChIKeyODNIWMNMMMZOOR-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.19
Rot. Bonds4

About 1-(4-aminobutan-2-yl)-3-cyclopropylurea

1-(4-aminobutan-2-yl)-3-cyclopropylurea (PubChem CID 62698349) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-(4-aminobutan-2-yl)-3-cyclopropylurea.

Molecular Properties

Compound Name1-(4-aminobutan-2-yl)-3-cyclopropylurea
PubChem CID62698349
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name1-(4-aminobutan-2-yl)-3-cyclopropylurea
SMILESCC(CCN)NC(=O)NC1CC1
InChIInChI=1S/C8H17N3O/c1-6(4-5-9)10-8(12)11-7-2-3-7/h6-7H,2-5,9H2,1H3,(H2,10,11,12)
InChIKeyODNIWMNMMMZOOR-UHFFFAOYSA-N
XLogP0.19
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-3-(4-hydroxybutan-2-yl)urea
CID 78998355
1-butan-2-yl-3-cyclopropylurea
CID 45366532
1-cyclopropyl-3-[(2R)-1-hydroxypropan-2-yl]urea
CID 62950697
1-(1-cyanopropan-2-yl)-3-cyclopropylurea
CID 62699301
1-cyclopentyl-3-[(2S)-1-fluoropropan-2-yl]urea
CID 127009415
1-(4-aminopentan-2-yl)-3-cyclobutylurea
CID 116658905
N-cyclopropyl-2-(cyclopropylcarbamoylamino)propanamide
CID 116657682
1-cyclopentyl-3-(1-methylsulfanylpropan-2-yl)urea
CID 115640204
3-[(4-ethylcyclohexyl)carbamoylamino]butanoic acid
CID 54955248
5-(cyclobutylcarbamoylamino)hexanoic acid
CID 82848345
1-cyclopropyl-3-(1-piperidin-1-ylpropan-2-yl)urea
CID 115579826
1-cyclopropyl-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 115643204

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminobutan-2-yl)-3-cyclopropylurea?
The IUPAC name of 1-(4-aminobutan-2-yl)-3-cyclopropylurea (CID 62698349) is 1-(4-aminobutan-2-yl)-3-cyclopropylurea.
What is the SMILES notation for 1-(4-aminobutan-2-yl)-3-cyclopropylurea?
The canonical SMILES for 1-(4-aminobutan-2-yl)-3-cyclopropylurea is CC(CCN)NC(=O)NC1CC1.
What is the InChIKey of 1-(4-aminobutan-2-yl)-3-cyclopropylurea?
The InChIKey is ODNIWMNMMMZOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-6(4-5-9)10-8(12)11-7-2-3-7/h6-7H,2-5,9H2,1H3,(H2,10,11,12).
What are the key properties of 1-(4-aminobutan-2-yl)-3-cyclopropylurea?
1-(4-aminobutan-2-yl)-3-cyclopropylurea has a molecular weight of 171.24 g/mol, XLogP of 0.19, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminobutan-2-yl)-3-cyclopropylurea is sourced from PubChem (CID 62698349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).