N-(1-morpholin-4-ylpropylidene)ethanimidamide

C9H17N3O — CID 123802494

IUPACN-(1-morpholin-4-ylpropylidene)ethanimidamide
SMILES[H]/N=C(C)/N=C(\CC)N1CCOCC1
InChIInChI=1S/C9H17N3O/c1-3-9(11-8(2)10)12-4-6-13-7-5-12/h10H,3-7H2,1-2H3/b10-8+,11-9+
InChIKeyCFRTZVSPFGODOT-GFULKKFKSA-N
MW183.25 g/mol
LogP1.12
Rot. Bonds1

About N-(1-morpholin-4-ylpropylidene)ethanimidamide

N-(1-morpholin-4-ylpropylidene)ethanimidamide (PubChem CID 123802494) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is N-(1-morpholin-4-ylpropylidene)ethanimidamide.

Molecular Properties

Compound NameN-(1-morpholin-4-ylpropylidene)ethanimidamide
PubChem CID123802494
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC NameN-(1-morpholin-4-ylpropylidene)ethanimidamide
SMILES[H]/N=C(C)/N=C(\CC)N1CCOCC1
InChIInChI=1S/C9H17N3O/c1-3-9(11-8(2)10)12-4-6-13-7-5-12/h10H,3-7H2,1-2H3/b10-8+,11-9+
InChIKeyCFRTZVSPFGODOT-GFULKKFKSA-N
XLogP1.12
TPSA48.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.12
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

1-Morpholin-4-ylpropan-1-imine
CID 17832333
1-Morpholinoethanimine
CID 18727554
(2-Methyl-1-morpholin-4-ylpropylidene)cyanamide
CID 20600808
2-methyl-2-N-methylidene-1-morpholin-4-ylpropane-1,2-diimine
CID 21348458
4-Morpholinobutanamidine
CID 24704187
7-Ethyl-3,11-dioxa-8-aza-6-azoniaspiro[5.7]tridec-7-ene
CID 54335097
2-Methyl-1-morpholin-4-ylpropan-1-imine
CID 57640524
N,2,2-trimethyl-1-morpholin-4-ylpropan-1-imine
CID 58320130
(2,2-Dimethyl-1-morpholin-4-ylpropylidene)cyanamide
CID 58961004
N-methyl-N-(3-morpholin-4-ylpropyl)ethanimidamide
CID 59020720
N-methyl-N-(2-morpholin-4-ylethyl)ethanimidamide
CID 59020854
Dimethyl(1-morpholin-4-ylethylidene)azanium
CID 59360810

Frequently Asked Questions

What is the IUPAC name of N-(1-morpholin-4-ylpropylidene)ethanimidamide?
The IUPAC name of N-(1-morpholin-4-ylpropylidene)ethanimidamide (CID 123802494) is N-(1-morpholin-4-ylpropylidene)ethanimidamide.
What is the SMILES notation for N-(1-morpholin-4-ylpropylidene)ethanimidamide?
The canonical SMILES for N-(1-morpholin-4-ylpropylidene)ethanimidamide is [H]/N=C(C)/N=C(\CC)N1CCOCC1.
What is the InChIKey of N-(1-morpholin-4-ylpropylidene)ethanimidamide?
The InChIKey is CFRTZVSPFGODOT-GFULKKFKSA-N. The full InChI is InChI=1S/C9H17N3O/c1-3-9(11-8(2)10)12-4-6-13-7-5-12/h10H,3-7H2,1-2H3/b10-8+,11-9+.
What are the key properties of N-(1-morpholin-4-ylpropylidene)ethanimidamide?
N-(1-morpholin-4-ylpropylidene)ethanimidamide has a molecular weight of 183.25 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-morpholin-4-ylpropylidene)ethanimidamide is sourced from PubChem (CID 123802494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).