2-morpholin-4-yl-N-propan-2-ylideneethanimidamide

C9H17N3O — CID 142003961

IUPAC2-morpholin-4-yl-N-propan-2-ylideneethanimidamide
SMILES[H]/N=C(/CN1CCOCC1)N=C(C)C
InChIInChI=1S/C9H17N3O/c1-8(2)11-9(10)7-12-3-5-13-6-4-12/h10H,3-7H2,1-2H3/b10-9-
InChIKeyLKOXEBYWJGUYOB-KTKRTIGZSA-N
MW183.25 g/mol
LogP0.78
Rot. Bonds2

About 2-morpholin-4-yl-N-propan-2-ylideneethanimidamide

2-morpholin-4-yl-N-propan-2-ylideneethanimidamide (PubChem CID 142003961) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-propan-2-ylideneethanimidamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-propan-2-ylideneethanimidamide
PubChem CID142003961
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name2-morpholin-4-yl-N-propan-2-ylideneethanimidamide
SMILES[H]/N=C(/CN1CCOCC1)N=C(C)C
InChIInChI=1S/C9H17N3O/c1-8(2)11-9(10)7-12-3-5-13-6-4-12/h10H,3-7H2,1-2H3/b10-9-
InChIKeyLKOXEBYWJGUYOB-KTKRTIGZSA-N
XLogP0.78
TPSA48.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.78
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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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-propan-2-ylideneethanimidamide?
The IUPAC name of 2-morpholin-4-yl-N-propan-2-ylideneethanimidamide (CID 142003961) is 2-morpholin-4-yl-N-propan-2-ylideneethanimidamide.
What is the SMILES notation for 2-morpholin-4-yl-N-propan-2-ylideneethanimidamide?
The canonical SMILES for 2-morpholin-4-yl-N-propan-2-ylideneethanimidamide is [H]/N=C(/CN1CCOCC1)N=C(C)C.
What is the InChIKey of 2-morpholin-4-yl-N-propan-2-ylideneethanimidamide?
The InChIKey is LKOXEBYWJGUYOB-KTKRTIGZSA-N. The full InChI is InChI=1S/C9H17N3O/c1-8(2)11-9(10)7-12-3-5-13-6-4-12/h10H,3-7H2,1-2H3/b10-9-.
What are the key properties of 2-morpholin-4-yl-N-propan-2-ylideneethanimidamide?
2-morpholin-4-yl-N-propan-2-ylideneethanimidamide has a molecular weight of 183.25 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-propan-2-ylideneethanimidamide is sourced from PubChem (CID 142003961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).