1-[2-(dimethylamino)ethyl]-3-(2-methylcyclohexyl)-1-(2-methylpropyl)urea

C16H33N3O — CID 86999337

IUPAC1-[2-(dimethylamino)ethyl]-3-(2-methylcyclohexyl)-1-(2-methylpropyl)urea
SMILESCC(C)CN(CCN(C)C)C(=O)NC1CCCCC1C
InChIInChI=1S/C16H33N3O/c1-13(2)12-19(11-10-18(4)5)16(20)17-15-9-7-6-8-14(15)3/h13-15H,6-12H2,1-5H3,(H,17,20)
InChIKeyLEVVYUQOTQNLTD-UHFFFAOYSA-N
MW283.46 g/mol
LogP2.79
Rot. Bonds6

About 1-[2-(dimethylamino)ethyl]-3-(2-methylcyclohexyl)-1-(2-methylpropyl)urea

1-[2-(dimethylamino)ethyl]-3-(2-methylcyclohexyl)-1-(2-methylpropyl)urea (PubChem CID 86999337) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3-(2-methylcyclohexyl)-1-(2-methylpropyl)urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3-(2-methylcyclohexyl)-1-(2-methylpropyl)urea
PubChem CID86999337
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name1-[2-(dimethylamino)ethyl]-3-(2-methylcyclohexyl)-1-(2-methylpropyl)urea
SMILESCC(C)CN(CCN(C)C)C(=O)NC1CCCCC1C
InChIInChI=1S/C16H33N3O/c1-13(2)12-19(11-10-18(4)5)16(20)17-15-9-7-6-8-14(15)3/h13-15H,6-12H2,1-5H3,(H,17,20)
InChIKeyLEVVYUQOTQNLTD-UHFFFAOYSA-N
XLogP2.79
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-3-(2-methylcyclohexyl)-1-(2-methylpropyl)urea?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3-(2-methylcyclohexyl)-1-(2-methylpropyl)urea (CID 86999337) is 1-[2-(dimethylamino)ethyl]-3-(2-methylcyclohexyl)-1-(2-methylpropyl)urea.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3-(2-methylcyclohexyl)-1-(2-methylpropyl)urea?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3-(2-methylcyclohexyl)-1-(2-methylpropyl)urea is CC(C)CN(CCN(C)C)C(=O)NC1CCCCC1C.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3-(2-methylcyclohexyl)-1-(2-methylpropyl)urea?
The InChIKey is LEVVYUQOTQNLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-13(2)12-19(11-10-18(4)5)16(20)17-15-9-7-6-8-14(15)3/h13-15H,6-12H2,1-5H3,(H,17,20).
What are the key properties of 1-[2-(dimethylamino)ethyl]-3-(2-methylcyclohexyl)-1-(2-methylpropyl)urea?
1-[2-(dimethylamino)ethyl]-3-(2-methylcyclohexyl)-1-(2-methylpropyl)urea has a molecular weight of 283.46 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-3-(2-methylcyclohexyl)-1-(2-methylpropyl)urea is sourced from PubChem (CID 86999337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).