N'-methyl-N-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]methanimidamide

C10H16N2 — CID 142041082

IUPACN'-methyl-N-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]methanimidamide
SMILESC=C(C)/C(=C\C=C/C)N/C=N/C
InChIInChI=1S/C10H16N2/c1-5-6-7-10(9(2)3)12-8-11-4/h5-8H,2H2,1,3-4H3,(H,11,12)/b6-5-,10-7+
InChIKeyJVAMJKQQOHEPDY-ZZWPSLBBSA-N
MW164.25 g/mol
LogP2.27
Rot. Bonds4

About N'-methyl-N-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]methanimidamide

N'-methyl-N-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]methanimidamide (PubChem CID 142041082) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is N'-methyl-N-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]methanimidamide.

Molecular Properties

Compound NameN'-methyl-N-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]methanimidamide
PubChem CID142041082
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC NameN'-methyl-N-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]methanimidamide
SMILESC=C(C)/C(=C\C=C/C)N/C=N/C
InChIInChI=1S/C10H16N2/c1-5-6-7-10(9(2)3)12-8-11-4/h5-8H,2H2,1,3-4H3,(H,11,12)/b6-5-,10-7+
InChIKeyJVAMJKQQOHEPDY-ZZWPSLBBSA-N
XLogP2.27
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.27
H-Bond Donors ≤ 51
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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Related Compounds

1H-Cyclohepta[d]pyrimidine
CID 45080488
6-methylidene-4,5-di(propan-2-yl)-1H-pyrimidine
CID 60125687
N'-[(2E,4Z)-3-ethenylhepta-2,4-dien-2-yl]methanimidamide
CID 88262945
1,6-Dihydropyrido[2,3-g]quinazoline
CID 88708143
5-[(Z)-but-1-enyl]-6-methyl-1,4-dihydropyrimidine
CID 89336052
8-Methyl-3,7-dihydrocyclohepta[d]imidazole
CID 91065909
10-[(3Z)-7-methylidenenona-1,3-dien-2-yl]-1,4,5,6-tetrahydro-1,3-diazecine
CID 91311689
6-Cyclohepta-1,6-dien-1-yl-1,4-dihydropyrimidin-4-amine
CID 117792001
N'-(1-amino-2-methylprop-2-enyl)-N-[(3Z)-penta-1,3-dien-2-yl]methanimidamide
CID 123298095
5-[(1E,3E)-2,3-dimethylhexa-1,3,5-trienyl]-6-methyl-1,4-dihydropyrimidin-4-amine
CID 123303165
4,4-dimethyl-7-methylidene-1H-1,3-diazepine
CID 123387213
N-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-N'-methylmethanimidamide
CID 123434689

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]methanimidamide?
The IUPAC name of N'-methyl-N-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]methanimidamide (CID 142041082) is N'-methyl-N-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]methanimidamide.
What is the SMILES notation for N'-methyl-N-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]methanimidamide?
The canonical SMILES for N'-methyl-N-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]methanimidamide is C=C(C)/C(=C\C=C/C)N/C=N/C.
What is the InChIKey of N'-methyl-N-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]methanimidamide?
The InChIKey is JVAMJKQQOHEPDY-ZZWPSLBBSA-N. The full InChI is InChI=1S/C10H16N2/c1-5-6-7-10(9(2)3)12-8-11-4/h5-8H,2H2,1,3-4H3,(H,11,12)/b6-5-,10-7+.
What are the key properties of N'-methyl-N-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]methanimidamide?
N'-methyl-N-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]methanimidamide has a molecular weight of 164.25 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]methanimidamide is sourced from PubChem (CID 142041082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).