N'-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]azepane-1-carboximidamide

C15H30N4O — CID 99849002

IUPACN'-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]azepane-1-carboximidamide
SMILESC[C@H](C/N=C(\N)N1CCCCCC1)N1CCOC[C@@H]1C
InChIInChI=1S/C15H30N4O/c1-13(19-9-10-20-12-14(19)2)11-17-15(16)18-7-5-3-4-6-8-18/h13-14H,3-12H2,1-2H3,(H2,16,17)/t13-,14+/m1/s1
InChIKeyUDWFNQSHOXOTGW-KGLIPLIRSA-N
MW282.43 g/mol
LogP1.29
Rot. Bonds3

About N'-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]azepane-1-carboximidamide

N'-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]azepane-1-carboximidamide (PubChem CID 99849002) has the molecular formula C15H30N4O and a molecular weight of 282.43 g/mol. Its IUPAC name is N'-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]azepane-1-carboximidamide.

Molecular Properties

Compound NameN'-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]azepane-1-carboximidamide
PubChem CID99849002
Molecular FormulaC15H30N4O
Molecular Weight282.43 g/mol
Exact Mass282.24
IUPAC NameN'-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]azepane-1-carboximidamide
SMILESC[C@H](C/N=C(\N)N1CCCCCC1)N1CCOC[C@@H]1C
InChIInChI=1S/C15H30N4O/c1-13(19-9-10-20-12-14(19)2)11-17-15(16)18-7-5-3-4-6-8-18/h13-14H,3-12H2,1-2H3,(H2,16,17)/t13-,14+/m1/s1
InChIKeyUDWFNQSHOXOTGW-KGLIPLIRSA-N
XLogP1.29
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)azepane-1-carboximidamide;hydroiodide
CID 120973846
N'-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)azepane-1-carboximidamide
CID 120973847
N'-[2-(3-methylmorpholin-4-yl)propyl]azepane-1-carboximidamide
CID 86779265
N'-methyl-8-(oxetan-3-yl)-3,8-diazabicyclo[3.2.1]octane-3-carboximidamide
CID 177162495
1-Cyclohexyl-2-(2-morpholin-4-ylethyl)guanidine
CID 55064108
1-(2-Methoxyethyl)-2-methyl-3-[2-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 56801469
1-(2-Methoxyethyl)-2-methyl-3-[2-(2-methylpiperidin-1-yl)propyl]guanidine
CID 56801470
N'-[2-[methyl(propan-2-yl)amino]ethyl]morpholine-4-carboximidamide
CID 56801746
N'-cyclohexyl-3-ethylmorpholine-4-carboximidamide
CID 62363822
N'-cyclohexyl-3-methylmorpholine-4-carboximidamide
CID 62364473
2-Cyclopentyl-1-(1-morpholin-4-ylpropan-2-yl)guanidine
CID 62367900
2-Cyclohexyl-1-(1-morpholin-4-ylpropan-2-yl)guanidine
CID 62367901

Frequently Asked Questions

What is the IUPAC name of N'-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]azepane-1-carboximidamide?
The IUPAC name of N'-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]azepane-1-carboximidamide (CID 99849002) is N'-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]azepane-1-carboximidamide.
What is the SMILES notation for N'-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]azepane-1-carboximidamide?
The canonical SMILES for N'-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]azepane-1-carboximidamide is C[C@H](C/N=C(\N)N1CCCCCC1)N1CCOC[C@@H]1C.
What is the InChIKey of N'-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]azepane-1-carboximidamide?
The InChIKey is UDWFNQSHOXOTGW-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H30N4O/c1-13(19-9-10-20-12-14(19)2)11-17-15(16)18-7-5-3-4-6-8-18/h13-14H,3-12H2,1-2H3,(H2,16,17)/t13-,14+/m1/s1.
What are the key properties of N'-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]azepane-1-carboximidamide?
N'-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]azepane-1-carboximidamide has a molecular weight of 282.43 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]azepane-1-carboximidamide is sourced from PubChem (CID 99849002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).