4-methyl-N-methylidene-3-(2-methylpropylamino)-N'-prop-2-enylpenta-2,4-dienimidamide

C14H23N3 — CID 174042525

IUPAC4-methyl-N-methylidene-3-(2-methylpropylamino)-N'-prop-2-enylpenta-2,4-dienimidamide
SMILESC=CC/N=C(/C=C(NCC(C)C)C(=C)C)N=C
InChIInChI=1S/C14H23N3/c1-7-8-16-14(15-6)9-13(12(4)5)17-10-11(2)3/h7,9,11,17H,1,4,6,8,10H2,2-3,5H3/b13-9?,16-14-
InChIKeyMZKBIPDESYKHHM-PISATYGPSA-N
MW233.36 g/mol
LogP2.98
Rot. Bonds7

About 4-methyl-N-methylidene-3-(2-methylpropylamino)-N'-prop-2-enylpenta-2,4-dienimidamide

4-methyl-N-methylidene-3-(2-methylpropylamino)-N'-prop-2-enylpenta-2,4-dienimidamide (PubChem CID 174042525) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 4-methyl-N-methylidene-3-(2-methylpropylamino)-N'-prop-2-enylpenta-2,4-dienimidamide.

Molecular Properties

Compound Name4-methyl-N-methylidene-3-(2-methylpropylamino)-N'-prop-2-enylpenta-2,4-dienimidamide
PubChem CID174042525
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name4-methyl-N-methylidene-3-(2-methylpropylamino)-N'-prop-2-enylpenta-2,4-dienimidamide
SMILESC=CC/N=C(/C=C(NCC(C)C)C(=C)C)N=C
InChIInChI=1S/C14H23N3/c1-7-8-16-14(15-6)9-13(12(4)5)17-10-11(2)3/h7,9,11,17H,1,4,6,8,10H2,2-3,5H3/b13-9?,16-14-
InChIKeyMZKBIPDESYKHHM-PISATYGPSA-N
XLogP2.98
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-methylidene-3-(2-methylpropylamino)-N'-prop-2-enylpenta-2,4-dienimidamide?
The IUPAC name of 4-methyl-N-methylidene-3-(2-methylpropylamino)-N'-prop-2-enylpenta-2,4-dienimidamide (CID 174042525) is 4-methyl-N-methylidene-3-(2-methylpropylamino)-N'-prop-2-enylpenta-2,4-dienimidamide.
What is the SMILES notation for 4-methyl-N-methylidene-3-(2-methylpropylamino)-N'-prop-2-enylpenta-2,4-dienimidamide?
The canonical SMILES for 4-methyl-N-methylidene-3-(2-methylpropylamino)-N'-prop-2-enylpenta-2,4-dienimidamide is C=CC/N=C(/C=C(NCC(C)C)C(=C)C)N=C.
What is the InChIKey of 4-methyl-N-methylidene-3-(2-methylpropylamino)-N'-prop-2-enylpenta-2,4-dienimidamide?
The InChIKey is MZKBIPDESYKHHM-PISATYGPSA-N. The full InChI is InChI=1S/C14H23N3/c1-7-8-16-14(15-6)9-13(12(4)5)17-10-11(2)3/h7,9,11,17H,1,4,6,8,10H2,2-3,5H3/b13-9?,16-14-.
What are the key properties of 4-methyl-N-methylidene-3-(2-methylpropylamino)-N'-prop-2-enylpenta-2,4-dienimidamide?
4-methyl-N-methylidene-3-(2-methylpropylamino)-N'-prop-2-enylpenta-2,4-dienimidamide has a molecular weight of 233.36 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-methylidene-3-(2-methylpropylamino)-N'-prop-2-enylpenta-2,4-dienimidamide is sourced from PubChem (CID 174042525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).