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

C11H23N3O — CID 83115963

IUPAC1,1-dimethyl-3-[2-[(3-methylcyclopentyl)amino]ethyl]urea
SMILESCC1CCC(NCCNC(=O)N(C)C)C1
InChIInChI=1S/C11H23N3O/c1-9-4-5-10(8-9)12-6-7-13-11(15)14(2)3/h9-10,12H,4-8H2,1-3H3,(H,13,15)
InChIKeyKSHQCIBGGANOOV-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.04
Rot. Bonds4

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

1,1-dimethyl-3-[2-[(3-methylcyclopentyl)amino]ethyl]urea (PubChem CID 83115963) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 1,1-dimethyl-3-[2-[(3-methylcyclopentyl)amino]ethyl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[2-[(3-methylcyclopentyl)amino]ethyl]urea
PubChem CID83115963
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name1,1-dimethyl-3-[2-[(3-methylcyclopentyl)amino]ethyl]urea
SMILESCC1CCC(NCCNC(=O)N(C)C)C1
InChIInChI=1S/C11H23N3O/c1-9-4-5-10(8-9)12-6-7-13-11(15)14(2)3/h9-10,12H,4-8H2,1-3H3,(H,13,15)
InChIKeyKSHQCIBGGANOOV-UHFFFAOYSA-N
XLogP1.04
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.04
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-[(4-hydroxycyclohexyl)amino]ethyl]-1,1-dimethylurea
CID 106595003
N-[2-[[(1S,3R)-3-methylcyclopentyl]amino]ethyl]cyclopropanecarboxamide
CID 97357833
1,1-dimethyl-3-[2-[(1-methylpiperidin-4-yl)amino]ethyl]urea
CID 83116217
3-[2-[(1,1-dioxothian-4-yl)amino]ethyl]-1,1-dimethylurea
CID 83117132
2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-5-methylcyclohexane-1-carboxamide
CID 83117542
1,1-dimethyl-3-[2-[(3,3,5,5-tetramethylcyclohexyl)amino]ethyl]urea
CID 112682262
tert-butyl N-methyl-N-[2-[(3-methylcyclopentyl)amino]ethyl]carbamate
CID 103698942
ethyl 4-[2-(dimethylcarbamoylamino)ethylamino]piperidine-1-carboxylate
CID 83117025
3-cyclopropyl-1-[2-(dimethylcarbamoylamino)ethyl]-1-methylurea
CID 75449864
N-(2-methoxyethyl)-3-[(3-methylcyclopentyl)amino]propanamide
CID 115652663
1-[2-(dimethylcarbamoylamino)ethylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 83112725
tert-butyl N-[3-[(3-methylcyclopentyl)amino]propyl]carbamate
CID 115653280

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[2-[(3-methylcyclopentyl)amino]ethyl]urea?
The IUPAC name of 1,1-dimethyl-3-[2-[(3-methylcyclopentyl)amino]ethyl]urea (CID 83115963) is 1,1-dimethyl-3-[2-[(3-methylcyclopentyl)amino]ethyl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[2-[(3-methylcyclopentyl)amino]ethyl]urea?
The canonical SMILES for 1,1-dimethyl-3-[2-[(3-methylcyclopentyl)amino]ethyl]urea is CC1CCC(NCCNC(=O)N(C)C)C1.
What is the InChIKey of 1,1-dimethyl-3-[2-[(3-methylcyclopentyl)amino]ethyl]urea?
The InChIKey is KSHQCIBGGANOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-9-4-5-10(8-9)12-6-7-13-11(15)14(2)3/h9-10,12H,4-8H2,1-3H3,(H,13,15).
What are the key properties of 1,1-dimethyl-3-[2-[(3-methylcyclopentyl)amino]ethyl]urea?
1,1-dimethyl-3-[2-[(3-methylcyclopentyl)amino]ethyl]urea has a molecular weight of 213.32 g/mol, XLogP of 1.04, 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-methylcyclopentyl)amino]ethyl]urea is sourced from PubChem (CID 83115963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).