N'-(3-cyclopropyl-3-methylbutyl)-2-methylmorpholine-4-carboximidamide

C14H27N3O — CID 122096622

IUPACN'-(3-cyclopropyl-3-methylbutyl)-2-methylmorpholine-4-carboximidamide
SMILESCC1CN(/C(N)=N/CCC(C)(C)C2CC2)CCO1
InChIInChI=1S/C14H27N3O/c1-11-10-17(8-9-18-11)13(15)16-7-6-14(2,3)12-4-5-12/h11-12H,4-10H2,1-3H3,(H2,15,16)
InChIKeyQFWNXVAJSMCKNW-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.85
Rot. Bonds4

About N'-(3-cyclopropyl-3-methylbutyl)-2-methylmorpholine-4-carboximidamide

N'-(3-cyclopropyl-3-methylbutyl)-2-methylmorpholine-4-carboximidamide (PubChem CID 122096622) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is N'-(3-cyclopropyl-3-methylbutyl)-2-methylmorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-(3-cyclopropyl-3-methylbutyl)-2-methylmorpholine-4-carboximidamide
PubChem CID122096622
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC NameN'-(3-cyclopropyl-3-methylbutyl)-2-methylmorpholine-4-carboximidamide
SMILESCC1CN(/C(N)=N/CCC(C)(C)C2CC2)CCO1
InChIInChI=1S/C14H27N3O/c1-11-10-17(8-9-18-11)13(15)16-7-6-14(2,3)12-4-5-12/h11-12H,4-10H2,1-3H3,(H2,15,16)
InChIKeyQFWNXVAJSMCKNW-UHFFFAOYSA-N
XLogP1.85
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.85
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

N'-[2-(tert-butylamino)ethyl]-2-methylmorpholine-4-carboximidamide
CID 120661618
N'-(cyclobutylmethyl)-2-methylmorpholine-4-carboximidamide
CID 120661244
N'-(2-tert-butylsulfinylethyl)-2-methylmorpholine-4-carboximidamide;hydroiodide
CID 120661691
2-methyl-N'-[2-(4-methylpiperidin-1-yl)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 120661211
N'-(2-methoxy-2-methylpropyl)-2-methylmorpholine-4-carboximidamide
CID 120661722
N'-(2-methoxy-3,3-dimethylbutyl)-2-methylmorpholine-4-carboximidamide
CID 120661582
N'-[2-(1-hydroxycyclobutyl)ethyl]-2-methylmorpholine-4-carboximidamide
CID 120913754
2-methyl-N'-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 120662093
2-methyl-N'-[(2-methyloxan-4-yl)methyl]morpholine-4-carboximidamide
CID 120662006
2-methyl-N'-(2-methyl-2-piperidin-1-ylpropyl)morpholine-4-carboximidamide;hydroiodide
CID 120661073
2-methyl-N'-[2-(2-methylphenyl)ethyl]morpholine-4-carboximidamide
CID 166222802
2-methyl-N'-[(3-methylcyclopentyl)methyl]morpholine-4-carboximidamide
CID 120663210

Frequently Asked Questions

What is the IUPAC name of N'-(3-cyclopropyl-3-methylbutyl)-2-methylmorpholine-4-carboximidamide?
The IUPAC name of N'-(3-cyclopropyl-3-methylbutyl)-2-methylmorpholine-4-carboximidamide (CID 122096622) is N'-(3-cyclopropyl-3-methylbutyl)-2-methylmorpholine-4-carboximidamide.
What is the SMILES notation for N'-(3-cyclopropyl-3-methylbutyl)-2-methylmorpholine-4-carboximidamide?
The canonical SMILES for N'-(3-cyclopropyl-3-methylbutyl)-2-methylmorpholine-4-carboximidamide is CC1CN(/C(N)=N/CCC(C)(C)C2CC2)CCO1.
What is the InChIKey of N'-(3-cyclopropyl-3-methylbutyl)-2-methylmorpholine-4-carboximidamide?
The InChIKey is QFWNXVAJSMCKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-11-10-17(8-9-18-11)13(15)16-7-6-14(2,3)12-4-5-12/h11-12H,4-10H2,1-3H3,(H2,15,16).
What are the key properties of N'-(3-cyclopropyl-3-methylbutyl)-2-methylmorpholine-4-carboximidamide?
N'-(3-cyclopropyl-3-methylbutyl)-2-methylmorpholine-4-carboximidamide has a molecular weight of 253.39 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-cyclopropyl-3-methylbutyl)-2-methylmorpholine-4-carboximidamide is sourced from PubChem (CID 122096622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).