N'-methyl-N-(3-methylbut-1-en-2-yl)-2-(3-methylbut-1-en-2-ylimino)-N-propylpropanimidamide

C17H31N3 — CID 130439420

IUPACN'-methyl-N-(3-methylbut-1-en-2-yl)-2-(3-methylbut-1-en-2-ylimino)-N-propylpropanimidamide
SMILESC=C(/N=C(C)/C(=N\C)N(CCC)C(=C)C(C)C)C(C)C
InChIInChI=1S/C17H31N3/c1-10-11-20(16(8)13(4)5)17(18-9)15(7)19-14(6)12(2)3/h12-13H,6,8,10-11H2,1-5,7,9H3/b18-17+,19-15+
InChIKeyTZORCOGRLOPRMN-OIAPSUMVSA-N
MW277.46 g/mol
LogP4.53
Rot. Bonds7

About N'-methyl-N-(3-methylbut-1-en-2-yl)-2-(3-methylbut-1-en-2-ylimino)-N-propylpropanimidamide

N'-methyl-N-(3-methylbut-1-en-2-yl)-2-(3-methylbut-1-en-2-ylimino)-N-propylpropanimidamide (PubChem CID 130439420) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is N'-methyl-N-(3-methylbut-1-en-2-yl)-2-(3-methylbut-1-en-2-ylimino)-N-propylpropanimidamide.

Molecular Properties

Compound NameN'-methyl-N-(3-methylbut-1-en-2-yl)-2-(3-methylbut-1-en-2-ylimino)-N-propylpropanimidamide
PubChem CID130439420
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC NameN'-methyl-N-(3-methylbut-1-en-2-yl)-2-(3-methylbut-1-en-2-ylimino)-N-propylpropanimidamide
SMILESC=C(/N=C(C)/C(=N\C)N(CCC)C(=C)C(C)C)C(C)C
InChIInChI=1S/C17H31N3/c1-10-11-20(16(8)13(4)5)17(18-9)15(7)19-14(6)12(2)3/h12-13H,6,8,10-11H2,1-5,7,9H3/b18-17+,19-15+
InChIKeyTZORCOGRLOPRMN-OIAPSUMVSA-N
XLogP4.53
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-(3-methylbut-1-en-2-yl)-2-(3-methylbut-1-en-2-ylimino)-N-propylpropanimidamide?
The IUPAC name of N'-methyl-N-(3-methylbut-1-en-2-yl)-2-(3-methylbut-1-en-2-ylimino)-N-propylpropanimidamide (CID 130439420) is N'-methyl-N-(3-methylbut-1-en-2-yl)-2-(3-methylbut-1-en-2-ylimino)-N-propylpropanimidamide.
What is the SMILES notation for N'-methyl-N-(3-methylbut-1-en-2-yl)-2-(3-methylbut-1-en-2-ylimino)-N-propylpropanimidamide?
The canonical SMILES for N'-methyl-N-(3-methylbut-1-en-2-yl)-2-(3-methylbut-1-en-2-ylimino)-N-propylpropanimidamide is C=C(/N=C(C)/C(=N\C)N(CCC)C(=C)C(C)C)C(C)C.
What is the InChIKey of N'-methyl-N-(3-methylbut-1-en-2-yl)-2-(3-methylbut-1-en-2-ylimino)-N-propylpropanimidamide?
The InChIKey is TZORCOGRLOPRMN-OIAPSUMVSA-N. The full InChI is InChI=1S/C17H31N3/c1-10-11-20(16(8)13(4)5)17(18-9)15(7)19-14(6)12(2)3/h12-13H,6,8,10-11H2,1-5,7,9H3/b18-17+,19-15+.
What are the key properties of N'-methyl-N-(3-methylbut-1-en-2-yl)-2-(3-methylbut-1-en-2-ylimino)-N-propylpropanimidamide?
N'-methyl-N-(3-methylbut-1-en-2-yl)-2-(3-methylbut-1-en-2-ylimino)-N-propylpropanimidamide has a molecular weight of 277.46 g/mol, XLogP of 4.53, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(3-methylbut-1-en-2-yl)-2-(3-methylbut-1-en-2-ylimino)-N-propylpropanimidamide is sourced from PubChem (CID 130439420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).