1-[4-[(dimethylamino)methyl]cyclohexyl]-1-ethyl-3,3-dimethylurea

C14H29N3O — CID 58438250

IUPAC1-[4-[(dimethylamino)methyl]cyclohexyl]-1-ethyl-3,3-dimethylurea
SMILESCCN(C(=O)N(C)C)C1CCC(CN(C)C)CC1
InChIInChI=1S/C14H29N3O/c1-6-17(14(18)16(4)5)13-9-7-12(8-10-13)11-15(2)3/h12-13H,6-11H2,1-5H3
InChIKeyCCUSQQIVDIETQZ-UHFFFAOYSA-N
MW255.41 g/mol
LogP2.11
Rot. Bonds4

About 1-[4-[(dimethylamino)methyl]cyclohexyl]-1-ethyl-3,3-dimethylurea

1-[4-[(dimethylamino)methyl]cyclohexyl]-1-ethyl-3,3-dimethylurea (PubChem CID 58438250) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 1-[4-[(dimethylamino)methyl]cyclohexyl]-1-ethyl-3,3-dimethylurea.

Molecular Properties

Compound Name1-[4-[(dimethylamino)methyl]cyclohexyl]-1-ethyl-3,3-dimethylurea
PubChem CID58438250
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name1-[4-[(dimethylamino)methyl]cyclohexyl]-1-ethyl-3,3-dimethylurea
SMILESCCN(C(=O)N(C)C)C1CCC(CN(C)C)CC1
InChIInChI=1S/C14H29N3O/c1-6-17(14(18)16(4)5)13-9-7-12(8-10-13)11-15(2)3/h12-13H,6-11H2,1-5H3
InChIKeyCCUSQQIVDIETQZ-UHFFFAOYSA-N
XLogP2.11
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-N,N',N'-triethylurea
CID 2985663
1-Methyl-3-(4-methylcyclohexyl)urea
CID 284245
1-Propyl-3-(4-methylcyclohexyl) urea
CID 103653451
1-(2-Cyclohexylethyl)-1,3,3-trimethylurea
CID 162403146
1-(2-Cyclohexylethyl)-3-propan-2-yl-1,3-diazinan-2-one
CID 21025306
1-[[4-[(Dimethylamino)methyl]cyclohexyl]methyl]-1,3,3-trimethylurea
CID 21334580
1,5-Dimethyl-3,4-dipropyl-1,3-diazinan-2-one
CID 21354290
1,1-Diethyl-3,3-bis(2-ethylhexyl)urea
CID 21468501
1-Cyclohexyl-3,3-dimethyl-1-propan-2-ylurea
CID 22749915
4-butyl-N,N-di(propan-2-yl)piperidine-1-carboxamide
CID 22970129
4-butyl-N,N-dimethylpiperidine-1-carboxamide
CID 22970130
4-butyl-N,N-dicyclohexylpiperidine-1-carboxamide
CID 23381457

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(dimethylamino)methyl]cyclohexyl]-1-ethyl-3,3-dimethylurea?
The IUPAC name of 1-[4-[(dimethylamino)methyl]cyclohexyl]-1-ethyl-3,3-dimethylurea (CID 58438250) is 1-[4-[(dimethylamino)methyl]cyclohexyl]-1-ethyl-3,3-dimethylurea.
What is the SMILES notation for 1-[4-[(dimethylamino)methyl]cyclohexyl]-1-ethyl-3,3-dimethylurea?
The canonical SMILES for 1-[4-[(dimethylamino)methyl]cyclohexyl]-1-ethyl-3,3-dimethylurea is CCN(C(=O)N(C)C)C1CCC(CN(C)C)CC1.
What is the InChIKey of 1-[4-[(dimethylamino)methyl]cyclohexyl]-1-ethyl-3,3-dimethylurea?
The InChIKey is CCUSQQIVDIETQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-6-17(14(18)16(4)5)13-9-7-12(8-10-13)11-15(2)3/h12-13H,6-11H2,1-5H3.
What are the key properties of 1-[4-[(dimethylamino)methyl]cyclohexyl]-1-ethyl-3,3-dimethylurea?
1-[4-[(dimethylamino)methyl]cyclohexyl]-1-ethyl-3,3-dimethylurea has a molecular weight of 255.41 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(dimethylamino)methyl]cyclohexyl]-1-ethyl-3,3-dimethylurea is sourced from PubChem (CID 58438250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).