N'-(N,N-dimethyl-N'-prop-1-en-2-ylcarbamimidoyl)-N,N-dimethylpropanimidamide

C11H22N4 — CID 123623563

IUPACN'-(N,N-dimethyl-N'-prop-1-en-2-ylcarbamimidoyl)-N,N-dimethylpropanimidamide
SMILESC=C(C)/N=C(/N=C(CC)N(C)C)N(C)C
InChIInChI=1S/C11H22N4/c1-8-10(14(4)5)13-11(15(6)7)12-9(2)3/h2,8H2,1,3-7H3/b12-11-,13-10?
InChIKeyFHADYKVEFFUVDN-LHXROTDISA-N
MW210.32 g/mol
LogP1.81
Rot. Bonds2

About N'-(N,N-dimethyl-N'-prop-1-en-2-ylcarbamimidoyl)-N,N-dimethylpropanimidamide

N'-(N,N-dimethyl-N'-prop-1-en-2-ylcarbamimidoyl)-N,N-dimethylpropanimidamide (PubChem CID 123623563) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is N'-(N,N-dimethyl-N'-prop-1-en-2-ylcarbamimidoyl)-N,N-dimethylpropanimidamide.

Molecular Properties

Compound NameN'-(N,N-dimethyl-N'-prop-1-en-2-ylcarbamimidoyl)-N,N-dimethylpropanimidamide
PubChem CID123623563
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC NameN'-(N,N-dimethyl-N'-prop-1-en-2-ylcarbamimidoyl)-N,N-dimethylpropanimidamide
SMILESC=C(C)/N=C(/N=C(CC)N(C)C)N(C)C
InChIInChI=1S/C11H22N4/c1-8-10(14(4)5)13-11(15(6)7)12-9(2)3/h2,8H2,1,3-7H3/b12-11-,13-10?
InChIKeyFHADYKVEFFUVDN-LHXROTDISA-N
XLogP1.81
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.81
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

hexan-2-ylidene-methyl-(C-methyl-N-prop-1-en-2-ylcarbonimidoyl)azanium
CID 91026832
N-ethenyl-N-methyl-N'-prop-1-en-2-ylpropanimidamide
CID 118612599
N,N',2-trimethyl-N-prop-1-en-2-ylpropanimidamide
CID 123338851
N-butyl-N-ethyl-N'-prop-1-en-2-ylpropanimidamide
CID 123520006
N'-[N'-[(E)-but-2-en-2-yl]-N,N-dimethylcarbamimidoyl]-N,N-dimethylpropanimidamide
CID 123977289
3-(3-Iminobutan-2-ylidene)-1,1-dimethyl-2-prop-1-en-2-ylguanidine
CID 163646424
N-ethyl-N-methyl-N'-prop-1-en-2-ylpropanimidamide
CID 143488870

Frequently Asked Questions

What is the IUPAC name of N'-(N,N-dimethyl-N'-prop-1-en-2-ylcarbamimidoyl)-N,N-dimethylpropanimidamide?
The IUPAC name of N'-(N,N-dimethyl-N'-prop-1-en-2-ylcarbamimidoyl)-N,N-dimethylpropanimidamide (CID 123623563) is N'-(N,N-dimethyl-N'-prop-1-en-2-ylcarbamimidoyl)-N,N-dimethylpropanimidamide.
What is the SMILES notation for N'-(N,N-dimethyl-N'-prop-1-en-2-ylcarbamimidoyl)-N,N-dimethylpropanimidamide?
The canonical SMILES for N'-(N,N-dimethyl-N'-prop-1-en-2-ylcarbamimidoyl)-N,N-dimethylpropanimidamide is C=C(C)/N=C(/N=C(CC)N(C)C)N(C)C.
What is the InChIKey of N'-(N,N-dimethyl-N'-prop-1-en-2-ylcarbamimidoyl)-N,N-dimethylpropanimidamide?
The InChIKey is FHADYKVEFFUVDN-LHXROTDISA-N. The full InChI is InChI=1S/C11H22N4/c1-8-10(14(4)5)13-11(15(6)7)12-9(2)3/h2,8H2,1,3-7H3/b12-11-,13-10?.
What are the key properties of N'-(N,N-dimethyl-N'-prop-1-en-2-ylcarbamimidoyl)-N,N-dimethylpropanimidamide?
N'-(N,N-dimethyl-N'-prop-1-en-2-ylcarbamimidoyl)-N,N-dimethylpropanimidamide has a molecular weight of 210.32 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(N,N-dimethyl-N'-prop-1-en-2-ylcarbamimidoyl)-N,N-dimethylpropanimidamide is sourced from PubChem (CID 123623563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).