N-methyl-N-[1-(methylamino)ethyl]-N'-prop-1-en-2-ylmethanimidamide

C8H17N3 — CID 155310279

IUPACN-methyl-N-[1-(methylamino)ethyl]-N'-prop-1-en-2-ylmethanimidamide
SMILESC=C(C)/N=C/N(C)C(C)NC
InChIInChI=1S/C8H17N3/c1-7(2)10-6-11(5)8(3)9-4/h6,8-9H,1H2,2-5H3/b10-6+
InChIKeyOZDDZOQIZRCRIG-UXBLZVDNSA-N
MW155.24 g/mol
LogP1.05
Rot. Bonds4

About N-methyl-N-[1-(methylamino)ethyl]-N'-prop-1-en-2-ylmethanimidamide

N-methyl-N-[1-(methylamino)ethyl]-N'-prop-1-en-2-ylmethanimidamide (PubChem CID 155310279) has the molecular formula C8H17N3 and a molecular weight of 155.24 g/mol. Its IUPAC name is N-methyl-N-[1-(methylamino)ethyl]-N'-prop-1-en-2-ylmethanimidamide.

Molecular Properties

Compound NameN-methyl-N-[1-(methylamino)ethyl]-N'-prop-1-en-2-ylmethanimidamide
PubChem CID155310279
Molecular FormulaC8H17N3
Molecular Weight155.24 g/mol
Exact Mass155.14
IUPAC NameN-methyl-N-[1-(methylamino)ethyl]-N'-prop-1-en-2-ylmethanimidamide
SMILESC=C(C)/N=C/N(C)C(C)NC
InChIInChI=1S/C8H17N3/c1-7(2)10-6-11(5)8(3)9-4/h6,8-9H,1H2,2-5H3/b10-6+
InChIKeyOZDDZOQIZRCRIG-UXBLZVDNSA-N
XLogP1.05
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'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 N-methyl-N-[1-(methylamino)ethyl]-N'-prop-1-en-2-ylmethanimidamide?
The IUPAC name of N-methyl-N-[1-(methylamino)ethyl]-N'-prop-1-en-2-ylmethanimidamide (CID 155310279) is N-methyl-N-[1-(methylamino)ethyl]-N'-prop-1-en-2-ylmethanimidamide.
What is the SMILES notation for N-methyl-N-[1-(methylamino)ethyl]-N'-prop-1-en-2-ylmethanimidamide?
The canonical SMILES for N-methyl-N-[1-(methylamino)ethyl]-N'-prop-1-en-2-ylmethanimidamide is C=C(C)/N=C/N(C)C(C)NC.
What is the InChIKey of N-methyl-N-[1-(methylamino)ethyl]-N'-prop-1-en-2-ylmethanimidamide?
The InChIKey is OZDDZOQIZRCRIG-UXBLZVDNSA-N. The full InChI is InChI=1S/C8H17N3/c1-7(2)10-6-11(5)8(3)9-4/h6,8-9H,1H2,2-5H3/b10-6+.
What are the key properties of N-methyl-N-[1-(methylamino)ethyl]-N'-prop-1-en-2-ylmethanimidamide?
N-methyl-N-[1-(methylamino)ethyl]-N'-prop-1-en-2-ylmethanimidamide has a molecular weight of 155.24 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(methylamino)ethyl]-N'-prop-1-en-2-ylmethanimidamide is sourced from PubChem (CID 155310279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).