N-[(Z)-N-(dimethylamino)-C-(2-hydroxypropyl)carbonimidoyl]-N-propan-2-ylformamide

C10H21N3O2 — CID 178109372

IUPACN-[(Z)-N-(dimethylamino)-C-(2-hydroxypropyl)carbonimidoyl]-N-propan-2-ylformamide
SMILESCC(O)C/C(=N/N(C)C)N(C=O)C(C)C
InChIInChI=1S/C10H21N3O2/c1-8(2)13(7-14)10(6-9(3)15)11-12(4)5/h7-9,15H,6H2,1-5H3/b11-10-
InChIKeyMUZYWWGQLMAFIO-KHPPLWFESA-N
MW215.30 g/mol
LogP0.50
Rot. Bonds5

About N-[(Z)-N-(dimethylamino)-C-(2-hydroxypropyl)carbonimidoyl]-N-propan-2-ylformamide

N-[(Z)-N-(dimethylamino)-C-(2-hydroxypropyl)carbonimidoyl]-N-propan-2-ylformamide (PubChem CID 178109372) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is N-[(Z)-N-(dimethylamino)-C-(2-hydroxypropyl)carbonimidoyl]-N-propan-2-ylformamide.

Molecular Properties

Compound NameN-[(Z)-N-(dimethylamino)-C-(2-hydroxypropyl)carbonimidoyl]-N-propan-2-ylformamide
PubChem CID178109372
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC NameN-[(Z)-N-(dimethylamino)-C-(2-hydroxypropyl)carbonimidoyl]-N-propan-2-ylformamide
SMILESCC(O)C/C(=N/N(C)C)N(C=O)C(C)C
InChIInChI=1S/C10H21N3O2/c1-8(2)13(7-14)10(6-9(3)15)11-12(4)5/h7-9,15H,6H2,1-5H3/b11-10-
InChIKeyMUZYWWGQLMAFIO-KHPPLWFESA-N
XLogP0.50
TPSA56.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(2-Hydroxypropyl)-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one
CID 178108825

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-N-(dimethylamino)-C-(2-hydroxypropyl)carbonimidoyl]-N-propan-2-ylformamide?
The IUPAC name of N-[(Z)-N-(dimethylamino)-C-(2-hydroxypropyl)carbonimidoyl]-N-propan-2-ylformamide (CID 178109372) is N-[(Z)-N-(dimethylamino)-C-(2-hydroxypropyl)carbonimidoyl]-N-propan-2-ylformamide.
What is the SMILES notation for N-[(Z)-N-(dimethylamino)-C-(2-hydroxypropyl)carbonimidoyl]-N-propan-2-ylformamide?
The canonical SMILES for N-[(Z)-N-(dimethylamino)-C-(2-hydroxypropyl)carbonimidoyl]-N-propan-2-ylformamide is CC(O)C/C(=N/N(C)C)N(C=O)C(C)C.
What is the InChIKey of N-[(Z)-N-(dimethylamino)-C-(2-hydroxypropyl)carbonimidoyl]-N-propan-2-ylformamide?
The InChIKey is MUZYWWGQLMAFIO-KHPPLWFESA-N. The full InChI is InChI=1S/C10H21N3O2/c1-8(2)13(7-14)10(6-9(3)15)11-12(4)5/h7-9,15H,6H2,1-5H3/b11-10-.
What are the key properties of N-[(Z)-N-(dimethylamino)-C-(2-hydroxypropyl)carbonimidoyl]-N-propan-2-ylformamide?
N-[(Z)-N-(dimethylamino)-C-(2-hydroxypropyl)carbonimidoyl]-N-propan-2-ylformamide has a molecular weight of 215.30 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-N-(dimethylamino)-C-(2-hydroxypropyl)carbonimidoyl]-N-propan-2-ylformamide is sourced from PubChem (CID 178109372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).