1,1-dimethyl-3-(4-propan-2-ylcyclohexen-1-yl)urea

C12H22N2O — CID 129274469

IUPAC1,1-dimethyl-3-(4-propan-2-ylcyclohexen-1-yl)urea
SMILESCC(C)C1CC=C(NC(=O)N(C)C)CC1
InChIInChI=1S/C12H22N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h7,9-10H,5-6,8H2,1-4H3,(H,13,15)
InChIKeyFUJDBHRTQWCJGO-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.60
Rot. Bonds2

About 1,1-dimethyl-3-(4-propan-2-ylcyclohexen-1-yl)urea

1,1-dimethyl-3-(4-propan-2-ylcyclohexen-1-yl)urea (PubChem CID 129274469) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1,1-dimethyl-3-(4-propan-2-ylcyclohexen-1-yl)urea.

Molecular Properties

Compound Name1,1-dimethyl-3-(4-propan-2-ylcyclohexen-1-yl)urea
PubChem CID129274469
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1,1-dimethyl-3-(4-propan-2-ylcyclohexen-1-yl)urea
SMILESCC(C)C1CC=C(NC(=O)N(C)C)CC1
InChIInChI=1S/C12H22N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h7,9-10H,5-6,8H2,1-4H3,(H,13,15)
InChIKeyFUJDBHRTQWCJGO-UHFFFAOYSA-N
XLogP2.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-(4-propan-2-ylcyclohexen-1-yl)urea?
The IUPAC name of 1,1-dimethyl-3-(4-propan-2-ylcyclohexen-1-yl)urea (CID 129274469) is 1,1-dimethyl-3-(4-propan-2-ylcyclohexen-1-yl)urea.
What is the SMILES notation for 1,1-dimethyl-3-(4-propan-2-ylcyclohexen-1-yl)urea?
The canonical SMILES for 1,1-dimethyl-3-(4-propan-2-ylcyclohexen-1-yl)urea is CC(C)C1CC=C(NC(=O)N(C)C)CC1.
What is the InChIKey of 1,1-dimethyl-3-(4-propan-2-ylcyclohexen-1-yl)urea?
The InChIKey is FUJDBHRTQWCJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h7,9-10H,5-6,8H2,1-4H3,(H,13,15).
What are the key properties of 1,1-dimethyl-3-(4-propan-2-ylcyclohexen-1-yl)urea?
1,1-dimethyl-3-(4-propan-2-ylcyclohexen-1-yl)urea has a molecular weight of 210.32 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-(4-propan-2-ylcyclohexen-1-yl)urea is sourced from PubChem (CID 129274469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).