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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Related Compounds

1,1-diethyl-3-(2-methylcyclopentyl)urea
CID 115613954
3-[(2-methylcyclohexyl)carbamoyl-propan-2-ylamino]propanoic acid
CID 61190174
2-[carboxymethyl-[(2-methylcyclopentyl)carbamoyl]amino]acetic acid
CID 63644996
(2-methylcyclohexyl)urea
CID 3345444
N'-(2-methylcyclohexyl)-N-(2-methylpropyl)oxamide
CID 108504857
N-[(1S,2R)-2-methylcyclohexyl]-N'-[(1S,2S)-2-methylcyclohexyl]hexanediamide
CID 124778988
N,N-dimethyl-2-[[(3-methylbutylamino)-[(2-methylcyclohexyl)amino]methylidene]amino]acetamide;hydroiodide
CID 111494855
2-[(Z)-(1-amino-4-methylpentylidene)amino]oxy-N-(2-methylcyclohexyl)acetamide
CID 47446463
3-cyclohexyl-1-[2-(dimethylamino)ethyl]-1-propylurea
CID 113231661
N'-[(2R)-butan-2-yl]-N-[(1S,2S)-2-methylcyclohexyl]oxamide
CID 11897539
1-N,3-N,5-N-tris(2-methylcyclohexyl)pentane-1,3,5-tricarboxamide
CID 139666026
2-[methyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]propanoic acid
CID 62637591

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).