1-cyclohexyl-3-[(2S)-6-methylhept-5-en-2-yl]urea

C15H28N2O — CID 2336217

IUPAC1-cyclohexyl-3-[(2S)-6-methylhept-5-en-2-yl]urea
SMILESCC(C)=CCC[C@H](C)NC(=O)NC1CCCCC1
InChIInChI=1S/C15H28N2O/c1-12(2)8-7-9-13(3)16-15(18)17-14-10-5-4-6-11-14/h8,13-14H,4-7,9-11H2,1-3H3,(H2,16,17,18)/t13-/m0/s1
InChIKeyUQVYRBNUXLZXRN-ZDUSSCGKSA-N
MW252.40 g/mol
LogP3.75
Rot. Bonds5

About 1-cyclohexyl-3-[(2S)-6-methylhept-5-en-2-yl]urea

1-cyclohexyl-3-[(2S)-6-methylhept-5-en-2-yl]urea (PubChem CID 2336217) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(2S)-6-methylhept-5-en-2-yl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(2S)-6-methylhept-5-en-2-yl]urea
PubChem CID2336217
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name1-cyclohexyl-3-[(2S)-6-methylhept-5-en-2-yl]urea
SMILESCC(C)=CCC[C@H](C)NC(=O)NC1CCCCC1
InChIInChI=1S/C15H28N2O/c1-12(2)8-7-9-13(3)16-15(18)17-14-10-5-4-6-11-14/h8,13-14H,4-7,9-11H2,1-3H3,(H2,16,17,18)/t13-/m0/s1
InChIKeyUQVYRBNUXLZXRN-ZDUSSCGKSA-N
XLogP3.75
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(2S)-6-methylhept-5-en-2-yl]urea?
The IUPAC name of 1-cyclohexyl-3-[(2S)-6-methylhept-5-en-2-yl]urea (CID 2336217) is 1-cyclohexyl-3-[(2S)-6-methylhept-5-en-2-yl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[(2S)-6-methylhept-5-en-2-yl]urea?
The canonical SMILES for 1-cyclohexyl-3-[(2S)-6-methylhept-5-en-2-yl]urea is CC(C)=CCC[C@H](C)NC(=O)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[(2S)-6-methylhept-5-en-2-yl]urea?
The InChIKey is UQVYRBNUXLZXRN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H28N2O/c1-12(2)8-7-9-13(3)16-15(18)17-14-10-5-4-6-11-14/h8,13-14H,4-7,9-11H2,1-3H3,(H2,16,17,18)/t13-/m0/s1.
What are the key properties of 1-cyclohexyl-3-[(2S)-6-methylhept-5-en-2-yl]urea?
1-cyclohexyl-3-[(2S)-6-methylhept-5-en-2-yl]urea has a molecular weight of 252.40 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(2S)-6-methylhept-5-en-2-yl]urea is sourced from PubChem (CID 2336217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).