N,N'-di(cycloheptyl)morpholine-4-carboximidamide

C19H35N3O — CID 10471338

IUPACN,N'-di(cycloheptyl)morpholine-4-carboximidamide
SMILESC1CCCC(/N=C(/NC2CCCCCC2)N2CCOCC2)CC1
InChIInChI=1S/C19H35N3O/c1-2-6-10-17(9-5-1)20-19(22-13-15-23-16-14-22)21-18-11-7-3-4-8-12-18/h17-18H,1-16H2,(H,20,21)
InChIKeyPTQRNKDNGZTXGV-UHFFFAOYSA-N
MW321.51 g/mol
LogP3.71
Rot. Bonds2

About N,N'-di(cycloheptyl)morpholine-4-carboximidamide

N,N'-di(cycloheptyl)morpholine-4-carboximidamide (PubChem CID 10471338) has the molecular formula C19H35N3O and a molecular weight of 321.51 g/mol. Its IUPAC name is N,N'-di(cycloheptyl)morpholine-4-carboximidamide.

Molecular Properties

Compound NameN,N'-di(cycloheptyl)morpholine-4-carboximidamide
PubChem CID10471338
Molecular FormulaC19H35N3O
Molecular Weight321.51 g/mol
Exact Mass321.28
IUPAC NameN,N'-di(cycloheptyl)morpholine-4-carboximidamide
SMILESC1CCCC(/N=C(/NC2CCCCCC2)N2CCOCC2)CC1
InChIInChI=1S/C19H35N3O/c1-2-6-10-17(9-5-1)20-19(22-13-15-23-16-14-22)21-18-11-7-3-4-8-12-18/h17-18H,1-16H2,(H,20,21)
InChIKeyPTQRNKDNGZTXGV-UHFFFAOYSA-N
XLogP3.71
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.51
LogP ≤ 53.71
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 N,N'-di(cycloheptyl)morpholine-4-carboximidamide?
The IUPAC name of N,N'-di(cycloheptyl)morpholine-4-carboximidamide (CID 10471338) is N,N'-di(cycloheptyl)morpholine-4-carboximidamide.
What is the SMILES notation for N,N'-di(cycloheptyl)morpholine-4-carboximidamide?
The canonical SMILES for N,N'-di(cycloheptyl)morpholine-4-carboximidamide is C1CCCC(/N=C(/NC2CCCCCC2)N2CCOCC2)CC1.
What is the InChIKey of N,N'-di(cycloheptyl)morpholine-4-carboximidamide?
The InChIKey is PTQRNKDNGZTXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O/c1-2-6-10-17(9-5-1)20-19(22-13-15-23-16-14-22)21-18-11-7-3-4-8-12-18/h17-18H,1-16H2,(H,20,21).
What are the key properties of N,N'-di(cycloheptyl)morpholine-4-carboximidamide?
N,N'-di(cycloheptyl)morpholine-4-carboximidamide has a molecular weight of 321.51 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-di(cycloheptyl)morpholine-4-carboximidamide is sourced from PubChem (CID 10471338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).