1-[2-(methylamino)ethoxy]-3-(4-methylpentyl)urea

C10H23N3O2 — CID 175613807

IUPAC1-[2-(methylamino)ethoxy]-3-(4-methylpentyl)urea
SMILESCNCCONC(=O)NCCCC(C)C
InChIInChI=1S/C10H23N3O2/c1-9(2)5-4-6-12-10(14)13-15-8-7-11-3/h9,11H,4-8H2,1-3H3,(H2,12,13,14)
InChIKeyRITUNPWSCCUVAJ-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.87
Rot. Bonds8

About 1-[2-(methylamino)ethoxy]-3-(4-methylpentyl)urea

1-[2-(methylamino)ethoxy]-3-(4-methylpentyl)urea (PubChem CID 175613807) has the molecular formula C10H23N3O2 and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-[2-(methylamino)ethoxy]-3-(4-methylpentyl)urea.

Molecular Properties

Compound Name1-[2-(methylamino)ethoxy]-3-(4-methylpentyl)urea
PubChem CID175613807
Molecular FormulaC10H23N3O2
Molecular Weight217.31 g/mol
Exact Mass217.18
IUPAC Name1-[2-(methylamino)ethoxy]-3-(4-methylpentyl)urea
SMILESCNCCONC(=O)NCCCC(C)C
InChIInChI=1S/C10H23N3O2/c1-9(2)5-4-6-12-10(14)13-15-8-7-11-3/h9,11H,4-8H2,1-3H3,(H2,12,13,14)
InChIKeyRITUNPWSCCUVAJ-UHFFFAOYSA-N
XLogP0.87
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-amino-3-(4-methylpentyl)urea
CID 63004667
(2S)-2-amino-4-methyl-N-(4-methylpentyl)pentanamide
CID 61158361
2-hydroxyethyl N-(5-methylhexyl)carbamate
CID 115327389
1-methyl-3-(7-methyloctyl)urea
CID 71899901
2-methylpropyl N-[3-(methylamino)propyl]carbamate
CID 43602360
2,2,2-trifluoroethyl N-(4-methylpentyl)carbamate
CID 23060469
2-(methylamino)ethyl N-[6-(methylamino)hexyl]carbamate
CID 155417435
2-amino-5-methoxy-N-(4-methylpentyl)pentanamide
CID 81089350
(2R)-2-amino-6-(methylamino)-N-(5-methylhexyl)hexanamide
CID 175614226
tert-butyl N-(6-methylheptyl)carbamate
CID 143166499
N-(4-methylpentyl)propanamide
CID 54140551
1,3-bis(3-methylbutyl)urea
CID 22563958

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylamino)ethoxy]-3-(4-methylpentyl)urea?
The IUPAC name of 1-[2-(methylamino)ethoxy]-3-(4-methylpentyl)urea (CID 175613807) is 1-[2-(methylamino)ethoxy]-3-(4-methylpentyl)urea.
What is the SMILES notation for 1-[2-(methylamino)ethoxy]-3-(4-methylpentyl)urea?
The canonical SMILES for 1-[2-(methylamino)ethoxy]-3-(4-methylpentyl)urea is CNCCONC(=O)NCCCC(C)C.
What is the InChIKey of 1-[2-(methylamino)ethoxy]-3-(4-methylpentyl)urea?
The InChIKey is RITUNPWSCCUVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2/c1-9(2)5-4-6-12-10(14)13-15-8-7-11-3/h9,11H,4-8H2,1-3H3,(H2,12,13,14).
What are the key properties of 1-[2-(methylamino)ethoxy]-3-(4-methylpentyl)urea?
1-[2-(methylamino)ethoxy]-3-(4-methylpentyl)urea has a molecular weight of 217.31 g/mol, XLogP of 0.87, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylamino)ethoxy]-3-(4-methylpentyl)urea is sourced from PubChem (CID 175613807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).