3-hexylmorpholine-4-carboximidamide

C11H23N3O — CID 141069640

IUPAC3-hexylmorpholine-4-carboximidamide
SMILES[H]/N=C(\N)N1CCOCC1CCCCCC
InChIInChI=1S/C11H23N3O/c1-2-3-4-5-6-10-9-15-8-7-14(10)11(12)13/h10H,2-9H2,1H3,(H3,12,13)
InChIKeyOWISSHICUNJGNC-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.55
Rot. Bonds5

About 3-hexylmorpholine-4-carboximidamide

3-hexylmorpholine-4-carboximidamide (PubChem CID 141069640) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-hexylmorpholine-4-carboximidamide.

Molecular Properties

Compound Name3-hexylmorpholine-4-carboximidamide
PubChem CID141069640
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name3-hexylmorpholine-4-carboximidamide
SMILES[H]/N=C(\N)N1CCOCC1CCCCCC
InChIInChI=1S/C11H23N3O/c1-2-3-4-5-6-10-9-15-8-7-14(10)11(12)13/h10H,2-9H2,1H3,(H3,12,13)
InChIKeyOWISSHICUNJGNC-UHFFFAOYSA-N
XLogP1.55
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-3-octylmorpholine
CID 172784874
3,4-di(tridecyl)morpholine
CID 172742724
1-(3-ethylmorpholin-4-yl)ethanimine
CID 63172920
N-butyl-3-(2-hydroxyethyl)morpholine-4-carboxamide
CID 75443356
3-butyl-4-prop-2-enylmorpholine
CID 175912707
2-decylaziridine-1-carboxamide
CID 175486597
4-hexylmorpholine-3-carboxamide
CID 174697838
3-[2-(dimethylamino)ethyl]morpholine-4-carboxamide
CID 174486365
3-ethyl-N'-hydroxymorpholine-4-carboximidamide
CID 62481677
4-(3-ethylmorpholin-4-yl)-2,2-dimethylbutanimidamide
CID 65252583
(2S)-2-(3-heptadecyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboximidamide
CID 129286703
3-(3-ethylmorpholin-4-yl)-3-oxopropanethioamide
CID 43613382

Frequently Asked Questions

What is the IUPAC name of 3-hexylmorpholine-4-carboximidamide?
The IUPAC name of 3-hexylmorpholine-4-carboximidamide (CID 141069640) is 3-hexylmorpholine-4-carboximidamide.
What is the SMILES notation for 3-hexylmorpholine-4-carboximidamide?
The canonical SMILES for 3-hexylmorpholine-4-carboximidamide is [H]/N=C(\N)N1CCOCC1CCCCCC.
What is the InChIKey of 3-hexylmorpholine-4-carboximidamide?
The InChIKey is OWISSHICUNJGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-2-3-4-5-6-10-9-15-8-7-14(10)11(12)13/h10H,2-9H2,1H3,(H3,12,13).
What are the key properties of 3-hexylmorpholine-4-carboximidamide?
3-hexylmorpholine-4-carboximidamide has a molecular weight of 213.32 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexylmorpholine-4-carboximidamide is sourced from PubChem (CID 141069640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).