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

C14H29N3O — CID 21334580

IUPAC1-[[4-[(dimethylamino)methyl]cyclohexyl]methyl]-1,3,3-trimethylurea
SMILESCN(C)CC1CCC(CN(C)C(=O)N(C)C)CC1
InChIInChI=1S/C14H29N3O/c1-15(2)10-12-6-8-13(9-7-12)11-17(5)14(18)16(3)4/h12-13H,6-11H2,1-5H3
InChIKeyITSCSCKJGVTQMD-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.97
Rot. Bonds4

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

1-[[4-[(dimethylamino)methyl]cyclohexyl]methyl]-1,3,3-trimethylurea (PubChem CID 21334580) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 1-[[4-[(dimethylamino)methyl]cyclohexyl]methyl]-1,3,3-trimethylurea.

Molecular Properties

Compound Name1-[[4-[(dimethylamino)methyl]cyclohexyl]methyl]-1,3,3-trimethylurea
PubChem CID21334580
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name1-[[4-[(dimethylamino)methyl]cyclohexyl]methyl]-1,3,3-trimethylurea
SMILESCN(C)CC1CCC(CN(C)C(=O)N(C)C)CC1
InChIInChI=1S/C14H29N3O/c1-15(2)10-12-6-8-13(9-7-12)11-17(5)14(18)16(3)4/h12-13H,6-11H2,1-5H3
InChIKeyITSCSCKJGVTQMD-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(dimethylamino)methyl]cyclohexyl]methyl]-1,3,3-trimethylurea?
The IUPAC name of 1-[[4-[(dimethylamino)methyl]cyclohexyl]methyl]-1,3,3-trimethylurea (CID 21334580) is 1-[[4-[(dimethylamino)methyl]cyclohexyl]methyl]-1,3,3-trimethylurea.
What is the SMILES notation for 1-[[4-[(dimethylamino)methyl]cyclohexyl]methyl]-1,3,3-trimethylurea?
The canonical SMILES for 1-[[4-[(dimethylamino)methyl]cyclohexyl]methyl]-1,3,3-trimethylurea is CN(C)CC1CCC(CN(C)C(=O)N(C)C)CC1.
What is the InChIKey of 1-[[4-[(dimethylamino)methyl]cyclohexyl]methyl]-1,3,3-trimethylurea?
The InChIKey is ITSCSCKJGVTQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-15(2)10-12-6-8-13(9-7-12)11-17(5)14(18)16(3)4/h12-13H,6-11H2,1-5H3.
What are the key properties of 1-[[4-[(dimethylamino)methyl]cyclohexyl]methyl]-1,3,3-trimethylurea?
1-[[4-[(dimethylamino)methyl]cyclohexyl]methyl]-1,3,3-trimethylurea has a molecular weight of 255.41 g/mol, XLogP of 1.97, 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]methyl]-1,3,3-trimethylurea is sourced from PubChem (CID 21334580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).