N,N'-dimethyl-N-[(2E)-5-methylhexa-2,4-dien-2-yl]methanimidamide

C10H18N2 — CID 146351890

IUPACN,N'-dimethyl-N-[(2E)-5-methylhexa-2,4-dien-2-yl]methanimidamide
SMILESC/N=C/N(C)/C(C)=C/C=C(C)C
InChIInChI=1S/C10H18N2/c1-9(2)6-7-10(3)12(5)8-11-4/h6-8H,1-5H3/b10-7+,11-8+
InChIKeyUGMKSQNOTXFLBS-AMMQDNIMSA-N
MW166.27 g/mol
LogP2.45
Rot. Bonds3

About N,N'-dimethyl-N-[(2E)-5-methylhexa-2,4-dien-2-yl]methanimidamide

N,N'-dimethyl-N-[(2E)-5-methylhexa-2,4-dien-2-yl]methanimidamide (PubChem CID 146351890) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is N,N'-dimethyl-N-[(2E)-5-methylhexa-2,4-dien-2-yl]methanimidamide.

Molecular Properties

Compound NameN,N'-dimethyl-N-[(2E)-5-methylhexa-2,4-dien-2-yl]methanimidamide
PubChem CID146351890
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC NameN,N'-dimethyl-N-[(2E)-5-methylhexa-2,4-dien-2-yl]methanimidamide
SMILESC/N=C/N(C)/C(C)=C/C=C(C)C
InChIInChI=1S/C10H18N2/c1-9(2)6-7-10(3)12(5)8-11-4/h6-8H,1-5H3/b10-7+,11-8+
InChIKeyUGMKSQNOTXFLBS-AMMQDNIMSA-N
XLogP2.45
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.45
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,N'-dimethyl-N-[(2E)-5-methylhexa-2,4-dien-2-yl]methanimidamide?
The IUPAC name of N,N'-dimethyl-N-[(2E)-5-methylhexa-2,4-dien-2-yl]methanimidamide (CID 146351890) is N,N'-dimethyl-N-[(2E)-5-methylhexa-2,4-dien-2-yl]methanimidamide.
What is the SMILES notation for N,N'-dimethyl-N-[(2E)-5-methylhexa-2,4-dien-2-yl]methanimidamide?
The canonical SMILES for N,N'-dimethyl-N-[(2E)-5-methylhexa-2,4-dien-2-yl]methanimidamide is C/N=C/N(C)/C(C)=C/C=C(C)C.
What is the InChIKey of N,N'-dimethyl-N-[(2E)-5-methylhexa-2,4-dien-2-yl]methanimidamide?
The InChIKey is UGMKSQNOTXFLBS-AMMQDNIMSA-N. The full InChI is InChI=1S/C10H18N2/c1-9(2)6-7-10(3)12(5)8-11-4/h6-8H,1-5H3/b10-7+,11-8+.
What are the key properties of N,N'-dimethyl-N-[(2E)-5-methylhexa-2,4-dien-2-yl]methanimidamide?
N,N'-dimethyl-N-[(2E)-5-methylhexa-2,4-dien-2-yl]methanimidamide has a molecular weight of 166.27 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N-[(2E)-5-methylhexa-2,4-dien-2-yl]methanimidamide is sourced from PubChem (CID 146351890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).