1-cyclobutyl-3-propan-2-ylurea;molecular hydrogen

C8H20N2O — CID 155714951

IUPAC1-cyclobutyl-3-propan-2-ylurea;molecular hydrogen
SMILESCC(C)NC(=O)NC1CCC1.[H][H].[H][H]
InChIInChI=1S/C8H16N2O.2H2/c1-6(2)9-8(11)10-7-4-3-5-7;;/h6-7H,3-5H2,1-2H3,(H2,9,10,11);2*1H
InChIKeySNRWHPGGPRFFMT-UHFFFAOYSA-N
MW160.26 g/mol
LogP1.74
Rot. Bonds2

About 1-cyclobutyl-3-propan-2-ylurea;molecular hydrogen

1-cyclobutyl-3-propan-2-ylurea;molecular hydrogen (PubChem CID 155714951) has the molecular formula C8H20N2O and a molecular weight of 160.26 g/mol. Its IUPAC name is 1-cyclobutyl-3-propan-2-ylurea;molecular hydrogen.

Molecular Properties

Compound Name1-cyclobutyl-3-propan-2-ylurea;molecular hydrogen
PubChem CID155714951
Molecular FormulaC8H20N2O
Molecular Weight160.26 g/mol
Exact Mass160.16
IUPAC Name1-cyclobutyl-3-propan-2-ylurea;molecular hydrogen
SMILESCC(C)NC(=O)NC1CCC1.[H][H].[H][H]
InChIInChI=1S/C8H16N2O.2H2/c1-6(2)9-8(11)10-7-4-3-5-7;;/h6-7H,3-5H2,1-2H3,(H2,9,10,11);2*1H
InChIKeySNRWHPGGPRFFMT-UHFFFAOYSA-N
XLogP1.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

sec-Butylurea
CID 12715
N,N'-Bis(1-methylethyl)urea
CID 20084
Dibutylurea
CID 74523
Urea, 1-butyl-3-ethyl-
CID 95670
N-Butyl-N'-methylurea
CID 96349
Urea, 1,1-dibutyl-3-ethyl-
CID 3040358
N-butyl-N'-cyclopentylurea
CID 4150224
1-Cyclobutyl-3-dodecylurea
CID 11076917
1-Cyclobutyl-3-octylurea
CID 22978784
Urea, 1-(4-heptyl)-3-methyl-
CID 218525
3-(3-(Dimethylamino)butyl)-1,1-dimethylurea
CID 44570098
N,N'-Dipropylurea
CID 69343

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-propan-2-ylurea;molecular hydrogen?
The IUPAC name of 1-cyclobutyl-3-propan-2-ylurea;molecular hydrogen (CID 155714951) is 1-cyclobutyl-3-propan-2-ylurea;molecular hydrogen.
What is the SMILES notation for 1-cyclobutyl-3-propan-2-ylurea;molecular hydrogen?
The canonical SMILES for 1-cyclobutyl-3-propan-2-ylurea;molecular hydrogen is CC(C)NC(=O)NC1CCC1.[H][H].[H][H].
What is the InChIKey of 1-cyclobutyl-3-propan-2-ylurea;molecular hydrogen?
The InChIKey is SNRWHPGGPRFFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O.2H2/c1-6(2)9-8(11)10-7-4-3-5-7;;/h6-7H,3-5H2,1-2H3,(H2,9,10,11);2*1H.
What are the key properties of 1-cyclobutyl-3-propan-2-ylurea;molecular hydrogen?
1-cyclobutyl-3-propan-2-ylurea;molecular hydrogen has a molecular weight of 160.26 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-propan-2-ylurea;molecular hydrogen is sourced from PubChem (CID 155714951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).