propan-2-yl N'-cyclohexyl-N-hexan-3-ylcarbamimidate

C16H32N2O — CID 142460912

IUPACpropan-2-yl N'-cyclohexyl-N-hexan-3-ylcarbamimidate
SMILESCCCC(CC)N/C(=N/C1CCCCC1)OC(C)C
InChIInChI=1S/C16H32N2O/c1-5-10-14(6-2)17-16(19-13(3)4)18-15-11-8-7-9-12-15/h13-15H,5-12H2,1-4H3,(H,17,18)
InChIKeyLGWRYTIYQGZCGT-UHFFFAOYSA-N
MW268.44 g/mol
LogP4.27
Rot. Bonds6

About propan-2-yl N'-cyclohexyl-N-hexan-3-ylcarbamimidate

propan-2-yl N'-cyclohexyl-N-hexan-3-ylcarbamimidate (PubChem CID 142460912) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is propan-2-yl N'-cyclohexyl-N-hexan-3-ylcarbamimidate.

Molecular Properties

Compound Namepropan-2-yl N'-cyclohexyl-N-hexan-3-ylcarbamimidate
PubChem CID142460912
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Namepropan-2-yl N'-cyclohexyl-N-hexan-3-ylcarbamimidate
SMILESCCCC(CC)N/C(=N/C1CCCCC1)OC(C)C
InChIInChI=1S/C16H32N2O/c1-5-10-14(6-2)17-16(19-13(3)4)18-15-11-8-7-9-12-15/h13-15H,5-12H2,1-4H3,(H,17,18)
InChIKeyLGWRYTIYQGZCGT-UHFFFAOYSA-N
XLogP4.27
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N'-cyclohexyl-N-hexan-3-ylcarbamimidate?
The IUPAC name of propan-2-yl N'-cyclohexyl-N-hexan-3-ylcarbamimidate (CID 142460912) is propan-2-yl N'-cyclohexyl-N-hexan-3-ylcarbamimidate.
What is the SMILES notation for propan-2-yl N'-cyclohexyl-N-hexan-3-ylcarbamimidate?
The canonical SMILES for propan-2-yl N'-cyclohexyl-N-hexan-3-ylcarbamimidate is CCCC(CC)N/C(=N/C1CCCCC1)OC(C)C.
What is the InChIKey of propan-2-yl N'-cyclohexyl-N-hexan-3-ylcarbamimidate?
The InChIKey is LGWRYTIYQGZCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-5-10-14(6-2)17-16(19-13(3)4)18-15-11-8-7-9-12-15/h13-15H,5-12H2,1-4H3,(H,17,18).
What are the key properties of propan-2-yl N'-cyclohexyl-N-hexan-3-ylcarbamimidate?
propan-2-yl N'-cyclohexyl-N-hexan-3-ylcarbamimidate has a molecular weight of 268.44 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N'-cyclohexyl-N-hexan-3-ylcarbamimidate is sourced from PubChem (CID 142460912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).