N-butyl-N-ethyl-N'-prop-1-en-2-ylpropanimidamide

C12H24N2 — CID 123520006

IUPACN-butyl-N-ethyl-N'-prop-1-en-2-ylpropanimidamide
SMILESC=C(C)/N=C(\CC)N(CC)CCCC
InChIInChI=1S/C12H24N2/c1-6-9-10-14(8-3)12(7-2)13-11(4)5/h4,6-10H2,1-3,5H3/b13-12+
InChIKeyHIHKBAADDLQGHU-OUKQBFOZSA-N
MW196.34 g/mol
LogP3.45
Rot. Bonds6

About N-butyl-N-ethyl-N'-prop-1-en-2-ylpropanimidamide

N-butyl-N-ethyl-N'-prop-1-en-2-ylpropanimidamide (PubChem CID 123520006) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N-butyl-N-ethyl-N'-prop-1-en-2-ylpropanimidamide.

Molecular Properties

Compound NameN-butyl-N-ethyl-N'-prop-1-en-2-ylpropanimidamide
PubChem CID123520006
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN-butyl-N-ethyl-N'-prop-1-en-2-ylpropanimidamide
SMILESC=C(C)/N=C(\CC)N(CC)CCCC
InChIInChI=1S/C12H24N2/c1-6-9-10-14(8-3)12(7-2)13-11(4)5/h4,6-10H2,1-3,5H3/b13-12+
InChIKeyHIHKBAADDLQGHU-OUKQBFOZSA-N
XLogP3.45
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

N-ethyl-2-fluoro-N-methyl-N'-prop-1-en-2-ylpropanimidamide
CID 169915803
1,1,2,4-Tetraethylimidazol-1-ium
CID 67303699
3,3-dimethyl-2-propyl-4H-pyrimidin-3-ium
CID 70223891
N-methyl-N-pent-4-enyl-N'-prop-1-en-2-ylethanimidamide
CID 89192495
1,4-Dimethyl-6-methylidene-2-propylpyrimidine
CID 89659145
N-ethenyl-N-methyl-N'-prop-1-en-2-ylpropanimidamide
CID 118612599
2-Methyl-1-pent-1-en-2-yl-4,5-dihydroimidazole
CID 122608806
1-Butyl-1,2,4-trimethylimidazol-1-ium
CID 122699323
N,N',2-trimethyl-N-prop-1-en-2-ylpropanimidamide
CID 123338851
N'-methyl-N-propan-2-yl-N-prop-1-en-2-ylethanimidamide
CID 123367208
N'-(N,N-dimethyl-N'-prop-1-en-2-ylcarbamimidoyl)-N,N-dimethylpropanimidamide
CID 123623563
Ethyl-methyl-[2-methyl-1-[methyl(prop-1-en-2-yl)amino]propylidene]azanium
CID 123639028

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-N'-prop-1-en-2-ylpropanimidamide?
The IUPAC name of N-butyl-N-ethyl-N'-prop-1-en-2-ylpropanimidamide (CID 123520006) is N-butyl-N-ethyl-N'-prop-1-en-2-ylpropanimidamide.
What is the SMILES notation for N-butyl-N-ethyl-N'-prop-1-en-2-ylpropanimidamide?
The canonical SMILES for N-butyl-N-ethyl-N'-prop-1-en-2-ylpropanimidamide is C=C(C)/N=C(\CC)N(CC)CCCC.
What is the InChIKey of N-butyl-N-ethyl-N'-prop-1-en-2-ylpropanimidamide?
The InChIKey is HIHKBAADDLQGHU-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H24N2/c1-6-9-10-14(8-3)12(7-2)13-11(4)5/h4,6-10H2,1-3,5H3/b13-12+.
What are the key properties of N-butyl-N-ethyl-N'-prop-1-en-2-ylpropanimidamide?
N-butyl-N-ethyl-N'-prop-1-en-2-ylpropanimidamide has a molecular weight of 196.34 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-N'-prop-1-en-2-ylpropanimidamide is sourced from PubChem (CID 123520006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).