N-methyl-N,N'-bis[(2E)-penta-2,4-dien-2-yl]methanimidamide

C12H18N2 — CID 135264626

IUPACN-methyl-N,N'-bis[(2E)-penta-2,4-dien-2-yl]methanimidamide
SMILESC=C/C=C(C)/N=C/N(C)/C(C)=C/C=C
InChIInChI=1S/C12H18N2/c1-6-8-11(3)13-10-14(5)12(4)9-7-2/h6-10H,1-2H2,3-5H3/b11-8+,12-9+,13-10+
InChIKeyOUXWWSYHQQDHQY-FOXWYSRTSA-N
MW190.29 g/mol
LogP3.13
Rot. Bonds5

About N-methyl-N,N'-bis[(2E)-penta-2,4-dien-2-yl]methanimidamide

N-methyl-N,N'-bis[(2E)-penta-2,4-dien-2-yl]methanimidamide (PubChem CID 135264626) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is N-methyl-N,N'-bis[(2E)-penta-2,4-dien-2-yl]methanimidamide.

Molecular Properties

Compound NameN-methyl-N,N'-bis[(2E)-penta-2,4-dien-2-yl]methanimidamide
PubChem CID135264626
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC NameN-methyl-N,N'-bis[(2E)-penta-2,4-dien-2-yl]methanimidamide
SMILESC=C/C=C(C)/N=C/N(C)/C(C)=C/C=C
InChIInChI=1S/C12H18N2/c1-6-8-11(3)13-10-14(5)12(4)9-7-2/h6-10H,1-2H2,3-5H3/b11-8+,12-9+,13-10+
InChIKeyOUXWWSYHQQDHQY-FOXWYSRTSA-N
XLogP3.13
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.13
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N,N'-bis[(2E)-penta-2,4-dien-2-yl]methanimidamide?
The IUPAC name of N-methyl-N,N'-bis[(2E)-penta-2,4-dien-2-yl]methanimidamide (CID 135264626) is N-methyl-N,N'-bis[(2E)-penta-2,4-dien-2-yl]methanimidamide.
What is the SMILES notation for N-methyl-N,N'-bis[(2E)-penta-2,4-dien-2-yl]methanimidamide?
The canonical SMILES for N-methyl-N,N'-bis[(2E)-penta-2,4-dien-2-yl]methanimidamide is C=C/C=C(C)/N=C/N(C)/C(C)=C/C=C.
What is the InChIKey of N-methyl-N,N'-bis[(2E)-penta-2,4-dien-2-yl]methanimidamide?
The InChIKey is OUXWWSYHQQDHQY-FOXWYSRTSA-N. The full InChI is InChI=1S/C12H18N2/c1-6-8-11(3)13-10-14(5)12(4)9-7-2/h6-10H,1-2H2,3-5H3/b11-8+,12-9+,13-10+.
What are the key properties of N-methyl-N,N'-bis[(2E)-penta-2,4-dien-2-yl]methanimidamide?
N-methyl-N,N'-bis[(2E)-penta-2,4-dien-2-yl]methanimidamide has a molecular weight of 190.29 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N,N'-bis[(2E)-penta-2,4-dien-2-yl]methanimidamide is sourced from PubChem (CID 135264626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).