N'-cyclohexyl-N-hexan-3-ylmorpholine-4-carboximidamide;molecular hydrogen

C17H35N3O — CID 142339341

IUPACN'-cyclohexyl-N-hexan-3-ylmorpholine-4-carboximidamide;molecular hydrogen
SMILESCCCC(CC)N/C(=N\C1CCCCC1)N1CCOCC1.[H][H]
InChIInChI=1S/C17H33N3O.H2/c1-3-8-15(4-2)18-17(20-11-13-21-14-12-20)19-16-9-6-5-7-10-16;/h15-16H,3-14H2,1-2H3,(H,18,19);1H
InChIKeyUGDUQWOIUQUTOC-UHFFFAOYSA-N
MW297.49 g/mol
LogP3.42
Rot. Bonds5

About N'-cyclohexyl-N-hexan-3-ylmorpholine-4-carboximidamide;molecular hydrogen

N'-cyclohexyl-N-hexan-3-ylmorpholine-4-carboximidamide;molecular hydrogen (PubChem CID 142339341) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is N'-cyclohexyl-N-hexan-3-ylmorpholine-4-carboximidamide;molecular hydrogen.

Molecular Properties

Compound NameN'-cyclohexyl-N-hexan-3-ylmorpholine-4-carboximidamide;molecular hydrogen
PubChem CID142339341
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC NameN'-cyclohexyl-N-hexan-3-ylmorpholine-4-carboximidamide;molecular hydrogen
SMILESCCCC(CC)N/C(=N\C1CCCCC1)N1CCOCC1.[H][H]
InChIInChI=1S/C17H33N3O.H2/c1-3-8-15(4-2)18-17(20-11-13-21-14-12-20)19-16-9-6-5-7-10-16;/h15-16H,3-14H2,1-2H3,(H,18,19);1H
InChIKeyUGDUQWOIUQUTOC-UHFFFAOYSA-N
XLogP3.42
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 53.42
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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Related Compounds

CID 21079
CID 21079
CID 10333852
CID 10333852
CID 10405561
CID 10405561
CID 10468954
CID 10468954
CID 10471338
CID 10471338
CID 172436430
CID 172436430
CID 146653367
CID 146653367
CID 6339130
CID 6339130
CID 9996696
CID 9996696
CID 14423434
CID 14423434
CID 14423480
CID 14423480
CID 19438677
CID 19438677

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N-hexan-3-ylmorpholine-4-carboximidamide;molecular hydrogen?
The IUPAC name of N'-cyclohexyl-N-hexan-3-ylmorpholine-4-carboximidamide;molecular hydrogen (CID 142339341) is N'-cyclohexyl-N-hexan-3-ylmorpholine-4-carboximidamide;molecular hydrogen.
What is the SMILES notation for N'-cyclohexyl-N-hexan-3-ylmorpholine-4-carboximidamide;molecular hydrogen?
The canonical SMILES for N'-cyclohexyl-N-hexan-3-ylmorpholine-4-carboximidamide;molecular hydrogen is CCCC(CC)N/C(=N\C1CCCCC1)N1CCOCC1.[H][H].
What is the InChIKey of N'-cyclohexyl-N-hexan-3-ylmorpholine-4-carboximidamide;molecular hydrogen?
The InChIKey is UGDUQWOIUQUTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O.H2/c1-3-8-15(4-2)18-17(20-11-13-21-14-12-20)19-16-9-6-5-7-10-16;/h15-16H,3-14H2,1-2H3,(H,18,19);1H.
What are the key properties of N'-cyclohexyl-N-hexan-3-ylmorpholine-4-carboximidamide;molecular hydrogen?
N'-cyclohexyl-N-hexan-3-ylmorpholine-4-carboximidamide;molecular hydrogen has a molecular weight of 297.49 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N-hexan-3-ylmorpholine-4-carboximidamide;molecular hydrogen is sourced from PubChem (CID 142339341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).