N-[2-(ethylaminomethyl)prop-2-enyl]-N'-methylmethanimidamide

C8H17N3 — CID 123948650

IUPACN-[2-(ethylaminomethyl)prop-2-enyl]-N'-methylmethanimidamide
SMILESC=C(CN/C=N/C)CNCC
InChIInChI=1S/C8H17N3/c1-4-10-5-8(2)6-11-7-9-3/h7,10H,2,4-6H2,1,3H3,(H,9,11)
InChIKeyUDAKGASPMSZHJO-UHFFFAOYSA-N
MW155.25 g/mol
LogP0.40
Rot. Bonds6

About N-[2-(ethylaminomethyl)prop-2-enyl]-N'-methylmethanimidamide

N-[2-(ethylaminomethyl)prop-2-enyl]-N'-methylmethanimidamide (PubChem CID 123948650) has the molecular formula C8H17N3 and a molecular weight of 155.25 g/mol. Its IUPAC name is N-[2-(ethylaminomethyl)prop-2-enyl]-N'-methylmethanimidamide.

Molecular Properties

Compound NameN-[2-(ethylaminomethyl)prop-2-enyl]-N'-methylmethanimidamide
PubChem CID123948650
Molecular FormulaC8H17N3
Molecular Weight155.25 g/mol
Exact Mass155.14
IUPAC NameN-[2-(ethylaminomethyl)prop-2-enyl]-N'-methylmethanimidamide
SMILESC=C(CN/C=N/C)CNCC
InChIInChI=1S/C8H17N3/c1-4-10-5-8(2)6-11-7-9-3/h7,10H,2,4-6H2,1,3H3,(H,9,11)
InChIKeyUDAKGASPMSZHJO-UHFFFAOYSA-N
XLogP0.40
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.25
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[(3-Aminopropyl)amino]propyl]-3-(3-methylbut-2-en-1-yl)guanidine
CID 44222464
N-[3-(ethylamino)propyl]-N'-methyl-N-prop-2-enylmethanimidamide
CID 90248355
N',2-dimethyl-N-propylprop-2-enimidamide
CID 118973463
ethane;N'-methyl-N-(2-methylprop-2-enyl)methanimidamide
CID 142904067
ethane;N-ethyl-N'-(2-methylprop-2-enyl)methanimidamide
CID 143326378
(9E)-7,9-dimethyl-4,5,6,8-tetrahydro-1H-1,3,7-triazecine
CID 144148480
2-methyl-N,N'-dipropylprop-2-enimidamide
CID 149152627
N-(2,3-dimethylbut-2-enyl)-N'-methylmethanimidamide
CID 156242070
1-(3-Aminopropyl)-2-(3-methylbut-2-enyl)guanidine
CID 24879372
1-[3-(Diethylamino)propyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111025405
1-[3-(Diethylamino)propyl]-2-(2-methylprop-2-enyl)guanidine
CID 111025406
1-[4-(Diethylamino)butyl]-2-(2-methylprop-2-enyl)guanidine
CID 111060027

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylaminomethyl)prop-2-enyl]-N'-methylmethanimidamide?
The IUPAC name of N-[2-(ethylaminomethyl)prop-2-enyl]-N'-methylmethanimidamide (CID 123948650) is N-[2-(ethylaminomethyl)prop-2-enyl]-N'-methylmethanimidamide.
What is the SMILES notation for N-[2-(ethylaminomethyl)prop-2-enyl]-N'-methylmethanimidamide?
The canonical SMILES for N-[2-(ethylaminomethyl)prop-2-enyl]-N'-methylmethanimidamide is C=C(CN/C=N/C)CNCC.
What is the InChIKey of N-[2-(ethylaminomethyl)prop-2-enyl]-N'-methylmethanimidamide?
The InChIKey is UDAKGASPMSZHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3/c1-4-10-5-8(2)6-11-7-9-3/h7,10H,2,4-6H2,1,3H3,(H,9,11).
What are the key properties of N-[2-(ethylaminomethyl)prop-2-enyl]-N'-methylmethanimidamide?
N-[2-(ethylaminomethyl)prop-2-enyl]-N'-methylmethanimidamide has a molecular weight of 155.25 g/mol, XLogP of 0.40, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylaminomethyl)prop-2-enyl]-N'-methylmethanimidamide is sourced from PubChem (CID 123948650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).