1-hexyl-3-propan-2-ylurea

C10H22N2O — CID 23264656

IUPAC1-hexyl-3-propan-2-ylurea
SMILESCCCCCCNC(=O)NC(C)C
InChIInChI=1S/C10H22N2O/c1-4-5-6-7-8-11-10(13)12-9(2)3/h9H,4-8H2,1-3H3,(H2,11,12,13)
InChIKeyNDRFSAFNBCYAGC-UHFFFAOYSA-N
MW186.30 g/mol
LogP2.27
Rot. Bonds6

About 1-hexyl-3-propan-2-ylurea

1-hexyl-3-propan-2-ylurea (PubChem CID 23264656) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 1-hexyl-3-propan-2-ylurea.

Molecular Properties

Compound Name1-hexyl-3-propan-2-ylurea
PubChem CID23264656
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name1-hexyl-3-propan-2-ylurea
SMILESCCCCCCNC(=O)NC(C)C
InChIInChI=1S/C10H22N2O/c1-4-5-6-7-8-11-10(13)12-9(2)3/h9H,4-8H2,1-3H3,(H2,11,12,13)
InChIKeyNDRFSAFNBCYAGC-UHFFFAOYSA-N
XLogP2.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 52.27
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-(1-hydroxypropan-2-yl)-3-octadecylurea
CID 130441437
1-(4-hydroxybutyl)-3-propan-2-ylurea
CID 106843864
1-butyl-3-octylurea
CID 17269600
2-(heptylcarbamoylamino)-3-methylpentanoic acid
CID 3390588
1-propyl-3-tridecylurea
CID 10934987
1-heptan-4-yl-3-pentylurea
CID 123857321
1-hexyl-3-(2-hydroxypropyl)urea
CID 137320550
1-methyl-3-nonylurea
CID 91937244
1-hexyl-3-hydroxyurea
CID 57210959
(2S,3R)-3-hydroxy-2-(pentylcarbamoylamino)butanoic acid
CID 104965712
2-[[(2S)-2-(dodecylcarbamoylamino)propanoyl]amino]acetic acid
CID 25058027
1-decyl-3-propan-2-ylthiourea
CID 17268723

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-3-propan-2-ylurea?
The IUPAC name of 1-hexyl-3-propan-2-ylurea (CID 23264656) is 1-hexyl-3-propan-2-ylurea.
What is the SMILES notation for 1-hexyl-3-propan-2-ylurea?
The canonical SMILES for 1-hexyl-3-propan-2-ylurea is CCCCCCNC(=O)NC(C)C.
What is the InChIKey of 1-hexyl-3-propan-2-ylurea?
The InChIKey is NDRFSAFNBCYAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-4-5-6-7-8-11-10(13)12-9(2)3/h9H,4-8H2,1-3H3,(H2,11,12,13).
What are the key properties of 1-hexyl-3-propan-2-ylurea?
1-hexyl-3-propan-2-ylurea has a molecular weight of 186.30 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-3-propan-2-ylurea is sourced from PubChem (CID 23264656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).