molecular hydrogen;propan-2-yl N'-cyclohexyl-N-hexan-3-ylcarbamimidate

C16H34N2O — CID 142513334

IUPACmolecular hydrogen;propan-2-yl N'-cyclohexyl-N-hexan-3-ylcarbamimidate
SMILESCCCC(CC)N/C(=N/C1CCCCC1)OC(C)C.[H][H]
InChIInChI=1S/C16H32N2O.H2/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);1H
InChIKeyUJCRLTLIJUWCSK-UHFFFAOYSA-N
MW270.46 g/mol
LogP4.51
Rot. Bonds6

About molecular hydrogen;propan-2-yl N'-cyclohexyl-N-hexan-3-ylcarbamimidate

molecular hydrogen;propan-2-yl N'-cyclohexyl-N-hexan-3-ylcarbamimidate (PubChem CID 142513334) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is molecular hydrogen;propan-2-yl N'-cyclohexyl-N-hexan-3-ylcarbamimidate.

Molecular Properties

Compound Namemolecular hydrogen;propan-2-yl N'-cyclohexyl-N-hexan-3-ylcarbamimidate
PubChem CID142513334
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Namemolecular hydrogen;propan-2-yl N'-cyclohexyl-N-hexan-3-ylcarbamimidate
SMILESCCCC(CC)N/C(=N/C1CCCCC1)OC(C)C.[H][H]
InChIInChI=1S/C16H32N2O.H2/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);1H
InChIKeyUJCRLTLIJUWCSK-UHFFFAOYSA-N
XLogP4.51
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 54.51
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 molecular hydrogen;propan-2-yl N'-cyclohexyl-N-hexan-3-ylcarbamimidate?
The IUPAC name of molecular hydrogen;propan-2-yl N'-cyclohexyl-N-hexan-3-ylcarbamimidate (CID 142513334) is molecular hydrogen;propan-2-yl N'-cyclohexyl-N-hexan-3-ylcarbamimidate.
What is the SMILES notation for molecular hydrogen;propan-2-yl N'-cyclohexyl-N-hexan-3-ylcarbamimidate?
The canonical SMILES for molecular hydrogen;propan-2-yl N'-cyclohexyl-N-hexan-3-ylcarbamimidate is CCCC(CC)N/C(=N/C1CCCCC1)OC(C)C.[H][H].
What is the InChIKey of molecular hydrogen;propan-2-yl N'-cyclohexyl-N-hexan-3-ylcarbamimidate?
The InChIKey is UJCRLTLIJUWCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O.H2/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);1H.
What are the key properties of molecular hydrogen;propan-2-yl N'-cyclohexyl-N-hexan-3-ylcarbamimidate?
molecular hydrogen;propan-2-yl N'-cyclohexyl-N-hexan-3-ylcarbamimidate has a molecular weight of 270.46 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;propan-2-yl N'-cyclohexyl-N-hexan-3-ylcarbamimidate is sourced from PubChem (CID 142513334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).