(2E)-N'-[[ethenyl(ethyl)amino]methyl]-3,4-dimethyl-N-prop-2-ynylpenta-2,4-dienimidamide

C15H23N3 — CID 174093674

IUPAC(2E)-N'-[[ethenyl(ethyl)amino]methyl]-3,4-dimethyl-N-prop-2-ynylpenta-2,4-dienimidamide
SMILESC#CCNC(/C=C(\C)C(=C)C)=NCN(C=C)CC
InChIInChI=1S/C15H23N3/c1-7-10-16-15(11-14(6)13(4)5)17-12-18(8-2)9-3/h1,8,11H,2,4,9-10,12H2,3,5-6H3,(H,16,17)/b14-11+
InChIKeyRTGUSKWJVGAVPD-SDNWHVSQSA-N
MW245.37 g/mol
LogP2.55
Rot. Bonds7

About (2E)-N'-[[ethenyl(ethyl)amino]methyl]-3,4-dimethyl-N-prop-2-ynylpenta-2,4-dienimidamide

(2E)-N'-[[ethenyl(ethyl)amino]methyl]-3,4-dimethyl-N-prop-2-ynylpenta-2,4-dienimidamide (PubChem CID 174093674) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is (2E)-N'-[[ethenyl(ethyl)amino]methyl]-3,4-dimethyl-N-prop-2-ynylpenta-2,4-dienimidamide.

Molecular Properties

Compound Name(2E)-N'-[[ethenyl(ethyl)amino]methyl]-3,4-dimethyl-N-prop-2-ynylpenta-2,4-dienimidamide
PubChem CID174093674
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name(2E)-N'-[[ethenyl(ethyl)amino]methyl]-3,4-dimethyl-N-prop-2-ynylpenta-2,4-dienimidamide
SMILESC#CCNC(/C=C(\C)C(=C)C)=NCN(C=C)CC
InChIInChI=1S/C15H23N3/c1-7-10-16-15(11-14(6)13(4)5)17-12-18(8-2)9-3/h1,8,11H,2,4,9-10,12H2,3,5-6H3,(H,16,17)/b14-11+
InChIKeyRTGUSKWJVGAVPD-SDNWHVSQSA-N
XLogP2.55
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.55
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': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-N'-[[ethenyl(ethyl)amino]methyl]-3,4-dimethyl-N-prop-2-ynylpenta-2,4-dienimidamide?
The IUPAC name of (2E)-N'-[[ethenyl(ethyl)amino]methyl]-3,4-dimethyl-N-prop-2-ynylpenta-2,4-dienimidamide (CID 174093674) is (2E)-N'-[[ethenyl(ethyl)amino]methyl]-3,4-dimethyl-N-prop-2-ynylpenta-2,4-dienimidamide.
What is the SMILES notation for (2E)-N'-[[ethenyl(ethyl)amino]methyl]-3,4-dimethyl-N-prop-2-ynylpenta-2,4-dienimidamide?
The canonical SMILES for (2E)-N'-[[ethenyl(ethyl)amino]methyl]-3,4-dimethyl-N-prop-2-ynylpenta-2,4-dienimidamide is C#CCNC(/C=C(\C)C(=C)C)=NCN(C=C)CC.
What is the InChIKey of (2E)-N'-[[ethenyl(ethyl)amino]methyl]-3,4-dimethyl-N-prop-2-ynylpenta-2,4-dienimidamide?
The InChIKey is RTGUSKWJVGAVPD-SDNWHVSQSA-N. The full InChI is InChI=1S/C15H23N3/c1-7-10-16-15(11-14(6)13(4)5)17-12-18(8-2)9-3/h1,8,11H,2,4,9-10,12H2,3,5-6H3,(H,16,17)/b14-11+.
What are the key properties of (2E)-N'-[[ethenyl(ethyl)amino]methyl]-3,4-dimethyl-N-prop-2-ynylpenta-2,4-dienimidamide?
(2E)-N'-[[ethenyl(ethyl)amino]methyl]-3,4-dimethyl-N-prop-2-ynylpenta-2,4-dienimidamide has a molecular weight of 245.37 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N'-[[ethenyl(ethyl)amino]methyl]-3,4-dimethyl-N-prop-2-ynylpenta-2,4-dienimidamide is sourced from PubChem (CID 174093674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).