1-(6,6-dimethylheptyl)-3-pentylurea

C15H32N2O — CID 143912834

IUPAC1-(6,6-dimethylheptyl)-3-pentylurea
SMILESCCCCCNC(=O)NCCCCCC(C)(C)C
InChIInChI=1S/C15H32N2O/c1-5-6-9-12-16-14(18)17-13-10-7-8-11-15(2,3)4/h5-13H2,1-4H3,(H2,16,17,18)
InChIKeyCNNFTIQIRQAQIX-UHFFFAOYSA-N
MW256.43 g/mol
LogP4.08
Rot. Bonds9

About 1-(6,6-dimethylheptyl)-3-pentylurea

1-(6,6-dimethylheptyl)-3-pentylurea (PubChem CID 143912834) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 1-(6,6-dimethylheptyl)-3-pentylurea.

Molecular Properties

Compound Name1-(6,6-dimethylheptyl)-3-pentylurea
PubChem CID143912834
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name1-(6,6-dimethylheptyl)-3-pentylurea
SMILESCCCCCNC(=O)NCCCCCC(C)(C)C
InChIInChI=1S/C15H32N2O/c1-5-6-9-12-16-14(18)17-13-10-7-8-11-15(2,3)4/h5-13H2,1-4H3,(H2,16,17,18)
InChIKeyCNNFTIQIRQAQIX-UHFFFAOYSA-N
XLogP4.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 54.08
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

N-decyl-7,7-dimethyloctanamide
CID 139961894
1-butyl-3-octylurea
CID 17269600
1-propyl-3-tridecylurea
CID 10934987
1-butyl-3-[4-(butylcarbamoylamino)butyl]urea
CID 161375219
1-tert-butyl-3-hexylurea
CID 115571487
N-butyl-10,10-dimethylundecanamide
CID 19922141
1-hexadecyl-3-(4-hydroxybutyl)urea
CID 170630543
18,18-dimethyl-N-octadecylnonadecan-1-amine
CID 154404952
3-(hexylcarbamoylamino)-2,2-dimethylpropanoic acid
CID 115428854
(2R)-2-amino-N-(5,5-dimethylhexyl)heptanamide
CID 90320269
1-(4-aminobutyl)-3-[4-(hexadecylcarbamoylamino)butyl]urea
CID 101384576
1-(3-aminopropyl)-3-octadecylurea
CID 54170703

Frequently Asked Questions

What is the IUPAC name of 1-(6,6-dimethylheptyl)-3-pentylurea?
The IUPAC name of 1-(6,6-dimethylheptyl)-3-pentylurea (CID 143912834) is 1-(6,6-dimethylheptyl)-3-pentylurea.
What is the SMILES notation for 1-(6,6-dimethylheptyl)-3-pentylurea?
The canonical SMILES for 1-(6,6-dimethylheptyl)-3-pentylurea is CCCCCNC(=O)NCCCCCC(C)(C)C.
What is the InChIKey of 1-(6,6-dimethylheptyl)-3-pentylurea?
The InChIKey is CNNFTIQIRQAQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-5-6-9-12-16-14(18)17-13-10-7-8-11-15(2,3)4/h5-13H2,1-4H3,(H2,16,17,18).
What are the key properties of 1-(6,6-dimethylheptyl)-3-pentylurea?
1-(6,6-dimethylheptyl)-3-pentylurea has a molecular weight of 256.43 g/mol, XLogP of 4.08, 9 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,6-dimethylheptyl)-3-pentylurea is sourced from PubChem (CID 143912834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).