1,1-dimethyl-3-[2-[(3,3,5,5-tetramethylcyclohexyl)amino]ethyl]urea

C15H31N3O — CID 112682262

IUPAC1,1-dimethyl-3-[2-[(3,3,5,5-tetramethylcyclohexyl)amino]ethyl]urea
SMILESCN(C)C(=O)NCCNC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C15H31N3O/c1-14(2)9-12(10-15(3,4)11-14)16-7-8-17-13(19)18(5)6/h12,16H,7-11H2,1-6H3,(H,17,19)
InChIKeyNREVWAYMXVIALM-UHFFFAOYSA-N
MW269.43 g/mol
LogP2.45
Rot. Bonds4

About 1,1-dimethyl-3-[2-[(3,3,5,5-tetramethylcyclohexyl)amino]ethyl]urea

1,1-dimethyl-3-[2-[(3,3,5,5-tetramethylcyclohexyl)amino]ethyl]urea (PubChem CID 112682262) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 1,1-dimethyl-3-[2-[(3,3,5,5-tetramethylcyclohexyl)amino]ethyl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[2-[(3,3,5,5-tetramethylcyclohexyl)amino]ethyl]urea
PubChem CID112682262
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name1,1-dimethyl-3-[2-[(3,3,5,5-tetramethylcyclohexyl)amino]ethyl]urea
SMILESCN(C)C(=O)NCCNC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C15H31N3O/c1-14(2)9-12(10-15(3,4)11-14)16-7-8-17-13(19)18(5)6/h12,16H,7-11H2,1-6H3,(H,17,19)
InChIKeyNREVWAYMXVIALM-UHFFFAOYSA-N
XLogP2.45
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,1-dimethyl-3-[2-[(3,3,5,5-tetramethylcyclohexyl)amino]ethyl]urea with MolForge

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Related Compounds

3-[2-[(4-hydroxycyclohexyl)amino]ethyl]-1,1-dimethylurea
CID 106595003
3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanoic acid
CID 112681935
1,1-dimethyl-3-[2-[(1-methylpiperidin-4-yl)amino]ethyl]urea
CID 83116217
1,1-dimethyl-3-[2-[(3-methylcyclopentyl)amino]ethyl]urea
CID 83115963
3-[2-[(1,1-dioxothian-4-yl)amino]ethyl]-1,1-dimethylurea
CID 83117132
3-[(1R,3R)-3-[(dimethylcarbamoylamino)methyl]-3,5,5-trimethylcyclohexyl]-1,1-dimethylurea
CID 3084763
N-[2-[(3,3-dimethylcyclopentyl)amino]ethyl]-2-methylpropanamide
CID 80693383
1,1-dimethyl-3-[[(5R)-1,3,3,5-tetramethylcyclohexyl]methyl]urea
CID 59547464
N-methyl-N-propan-2-yl-2-[(3,3,5,5-tetramethylcyclohexyl)amino]acetamide
CID 103966125
1-morpholin-4-yl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-1-one
CID 103991059
ethyl 4-[2-(dimethylcarbamoylamino)ethylamino]piperidine-1-carboxylate
CID 83117025
N-[2-[2-(dimethylamino)ethoxy]ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103080762

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[2-[(3,3,5,5-tetramethylcyclohexyl)amino]ethyl]urea?
The IUPAC name of 1,1-dimethyl-3-[2-[(3,3,5,5-tetramethylcyclohexyl)amino]ethyl]urea (CID 112682262) is 1,1-dimethyl-3-[2-[(3,3,5,5-tetramethylcyclohexyl)amino]ethyl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[2-[(3,3,5,5-tetramethylcyclohexyl)amino]ethyl]urea?
The canonical SMILES for 1,1-dimethyl-3-[2-[(3,3,5,5-tetramethylcyclohexyl)amino]ethyl]urea is CN(C)C(=O)NCCNC1CC(C)(C)CC(C)(C)C1.
What is the InChIKey of 1,1-dimethyl-3-[2-[(3,3,5,5-tetramethylcyclohexyl)amino]ethyl]urea?
The InChIKey is NREVWAYMXVIALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-14(2)9-12(10-15(3,4)11-14)16-7-8-17-13(19)18(5)6/h12,16H,7-11H2,1-6H3,(H,17,19).
What are the key properties of 1,1-dimethyl-3-[2-[(3,3,5,5-tetramethylcyclohexyl)amino]ethyl]urea?
1,1-dimethyl-3-[2-[(3,3,5,5-tetramethylcyclohexyl)amino]ethyl]urea has a molecular weight of 269.43 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[2-[(3,3,5,5-tetramethylcyclohexyl)amino]ethyl]urea is sourced from PubChem (CID 112682262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).