1-(4-methylpentyl)-3-propan-2-ylurea

C10H22N2O — CID 22966169

IUPAC1-(4-methylpentyl)-3-propan-2-ylurea
SMILESCC(C)CCCNC(=O)NC(C)C
InChIInChI=1S/C10H22N2O/c1-8(2)6-5-7-11-10(13)12-9(3)4/h8-9H,5-7H2,1-4H3,(H2,11,12,13)
InChIKeyFJKIAQITLCXWJM-UHFFFAOYSA-N
MW186.30 g/mol
LogP2.13
Rot. Bonds5

About 1-(4-methylpentyl)-3-propan-2-ylurea

1-(4-methylpentyl)-3-propan-2-ylurea (PubChem CID 22966169) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 1-(4-methylpentyl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(4-methylpentyl)-3-propan-2-ylurea
PubChem CID22966169
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name1-(4-methylpentyl)-3-propan-2-ylurea
SMILESCC(C)CCCNC(=O)NC(C)C
InChIInChI=1S/C10H22N2O/c1-8(2)6-5-7-11-10(13)12-9(3)4/h8-9H,5-7H2,1-4H3,(H2,11,12,13)
InChIKeyFJKIAQITLCXWJM-UHFFFAOYSA-N
XLogP2.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Cyclohexyl-3-methylurea
CID 308344
1-Cyclohexyl-3-isobutylurea
CID 4323939
N-(Sec-butyl)-N'-cyclohexylurea
CID 4417023
1-Cyclohexyl-3-hexyl urea
CID 5151394
1-Cyclohexyl-3-(1,1,3,3-tetramethyl-butyl)-urea
CID 11139699
1-Tert-butyl-3-cyclohexylurea
CID 306672
1-Cyclohexyl-3-isopropylurea
CID 280348
1-Butyl-3-cyclohexylurea
CID 3613676
1-Cyclohexyl-3-ethylurea
CID 5151398
1-Cyclohexyl-3-propylurea
CID 280347
N-butyl-N'-cyclopentylurea
CID 4150224
1-Cyclohexyl-3-pentylurea
CID 3408191

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpentyl)-3-propan-2-ylurea?
The IUPAC name of 1-(4-methylpentyl)-3-propan-2-ylurea (CID 22966169) is 1-(4-methylpentyl)-3-propan-2-ylurea.
What is the SMILES notation for 1-(4-methylpentyl)-3-propan-2-ylurea?
The canonical SMILES for 1-(4-methylpentyl)-3-propan-2-ylurea is CC(C)CCCNC(=O)NC(C)C.
What is the InChIKey of 1-(4-methylpentyl)-3-propan-2-ylurea?
The InChIKey is FJKIAQITLCXWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-8(2)6-5-7-11-10(13)12-9(3)4/h8-9H,5-7H2,1-4H3,(H2,11,12,13).
What are the key properties of 1-(4-methylpentyl)-3-propan-2-ylurea?
1-(4-methylpentyl)-3-propan-2-ylurea has a molecular weight of 186.30 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpentyl)-3-propan-2-ylurea is sourced from PubChem (CID 22966169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).