3-[2-(cycloheptylmethylamino)ethyl]-1,1-dimethylurea

C13H27N3O — CID 83116093

IUPAC3-[2-(cycloheptylmethylamino)ethyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCCNCC1CCCCCC1
InChIInChI=1S/C13H27N3O/c1-16(2)13(17)15-10-9-14-11-12-7-5-3-4-6-8-12/h12,14H,3-11H2,1-2H3,(H,15,17)
InChIKeyFUNYQKQKPAPGET-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.82
Rot. Bonds5

About 3-[2-(cycloheptylmethylamino)ethyl]-1,1-dimethylurea

3-[2-(cycloheptylmethylamino)ethyl]-1,1-dimethylurea (PubChem CID 83116093) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 3-[2-(cycloheptylmethylamino)ethyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[2-(cycloheptylmethylamino)ethyl]-1,1-dimethylurea
PubChem CID83116093
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name3-[2-(cycloheptylmethylamino)ethyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCCNCC1CCCCCC1
InChIInChI=1S/C13H27N3O/c1-16(2)13(17)15-10-9-14-11-12-7-5-3-4-6-8-12/h12,14H,3-11H2,1-2H3,(H,15,17)
InChIKeyFUNYQKQKPAPGET-UHFFFAOYSA-N
XLogP1.82
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-(2-cyclohexylethylamino)ethyl]-1,1-dimethylurea
CID 83116550
3-(2-cyclobutylethyl)-1,1-dimethylurea
CID 115687259
1,1-dimethyl-3-[2-[(5-oxopyrrolidin-2-yl)methylamino]ethyl]urea
CID 107529858
N-[2-(dimethylcarbamoylamino)ethyl]azepane-2-carboxamide
CID 83110160
N'-(cyclohexylmethyl)-N-propylethane-1,2-diamine
CID 62559758
3-[(4-ethylcyclohexyl)methyl]-1,1-dimethylurea
CID 115590479
N-(cyclohexylmethyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 115581253
2-[cyclohexylmethylcarbamoyl(methyl)amino]acetic acid
CID 43371697
3-[2-[[2-hydroxy-3-(2-methylcyclohexyl)oxypropyl]amino]ethyl]-1,1-dimethylurea
CID 83113488
2-[1-[2-(dimethylcarbamoylamino)ethylcarbamoyl]piperidin-3-yl]acetic acid
CID 83113670
1,3-bis(cyclopentylmethyl)-1-methylurea
CID 71882536
N-(cyclooctylmethyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 114207737

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cycloheptylmethylamino)ethyl]-1,1-dimethylurea?
The IUPAC name of 3-[2-(cycloheptylmethylamino)ethyl]-1,1-dimethylurea (CID 83116093) is 3-[2-(cycloheptylmethylamino)ethyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[2-(cycloheptylmethylamino)ethyl]-1,1-dimethylurea?
The canonical SMILES for 3-[2-(cycloheptylmethylamino)ethyl]-1,1-dimethylurea is CN(C)C(=O)NCCNCC1CCCCCC1.
What is the InChIKey of 3-[2-(cycloheptylmethylamino)ethyl]-1,1-dimethylurea?
The InChIKey is FUNYQKQKPAPGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-16(2)13(17)15-10-9-14-11-12-7-5-3-4-6-8-12/h12,14H,3-11H2,1-2H3,(H,15,17).
What are the key properties of 3-[2-(cycloheptylmethylamino)ethyl]-1,1-dimethylurea?
3-[2-(cycloheptylmethylamino)ethyl]-1,1-dimethylurea has a molecular weight of 241.38 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cycloheptylmethylamino)ethyl]-1,1-dimethylurea is sourced from PubChem (CID 83116093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).