N-[(3E)-7-amino-3,6-dimethylhepta-1,3,5-trien-2-yl]-N'-methylmethanimidamide

C11H19N3 — CID 123530565

IUPACN-[(3E)-7-amino-3,6-dimethylhepta-1,3,5-trien-2-yl]-N'-methylmethanimidamide
SMILESC=C(N/C=N/C)/C(C)=C/C=C(C)CN
InChIInChI=1S/C11H19N3/c1-9(7-12)5-6-10(2)11(3)14-8-13-4/h5-6,8H,3,7,12H2,1-2,4H3,(H,13,14)/b9-5?,10-6+
InChIKeySRTHGWBODDNJKG-HYAZYBELSA-N
MW193.29 g/mol
LogP1.60
Rot. Bonds5

About N-[(3E)-7-amino-3,6-dimethylhepta-1,3,5-trien-2-yl]-N'-methylmethanimidamide

N-[(3E)-7-amino-3,6-dimethylhepta-1,3,5-trien-2-yl]-N'-methylmethanimidamide (PubChem CID 123530565) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N-[(3E)-7-amino-3,6-dimethylhepta-1,3,5-trien-2-yl]-N'-methylmethanimidamide.

Molecular Properties

Compound NameN-[(3E)-7-amino-3,6-dimethylhepta-1,3,5-trien-2-yl]-N'-methylmethanimidamide
PubChem CID123530565
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN-[(3E)-7-amino-3,6-dimethylhepta-1,3,5-trien-2-yl]-N'-methylmethanimidamide
SMILESC=C(N/C=N/C)/C(C)=C/C=C(C)CN
InChIInChI=1S/C11H19N3/c1-9(7-12)5-6-10(2)11(3)14-8-13-4/h5-6,8H,3,7,12H2,1-2,4H3,(H,13,14)/b9-5?,10-6+
InChIKeySRTHGWBODDNJKG-HYAZYBELSA-N
XLogP1.60
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.60
H-Bond Donors ≤ 52
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'}

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Related Compounds

5-Methyl-4-methylene-1,4-dihydropyrimidine
CID 45080169
1H-Cyclohepta[d]pyrimidine
CID 45080488
5-[(Z)-but-1-enyl]-6-methyl-1,4-dihydropyrimidine
CID 89336052
N-[(2Z,4Z)-1-amino-2-methylhexa-2,4-dien-3-yl]-N'-methylmethanimidamide
CID 90454013
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
N-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-N'-methylmethanimidamide
CID 123434689
N'-methyl-N-(3-methylidenehexa-1,4-dien-2-yl)methanimidamide
CID 123441819
N-[(E)-hex-3-en-3-yl]-N'-(2-methylidenebutyl)methanimidamide
CID 123443972
N-but-2-en-2-yl-N'-[(1Z)-3-methylbuta-1,3-dienyl]methanimidamide
CID 123513176
N-[(3E)-8-methylnona-1,3,7-trien-2-yl]-N'-pent-2-en-2-ylmethanimidamide
CID 123679921
N'-methyl-N-[(4Z)-3-methylidenehepta-1,4,6-trien-2-yl]methanimidamide
CID 123963482

Frequently Asked Questions

What is the IUPAC name of N-[(3E)-7-amino-3,6-dimethylhepta-1,3,5-trien-2-yl]-N'-methylmethanimidamide?
The IUPAC name of N-[(3E)-7-amino-3,6-dimethylhepta-1,3,5-trien-2-yl]-N'-methylmethanimidamide (CID 123530565) is N-[(3E)-7-amino-3,6-dimethylhepta-1,3,5-trien-2-yl]-N'-methylmethanimidamide.
What is the SMILES notation for N-[(3E)-7-amino-3,6-dimethylhepta-1,3,5-trien-2-yl]-N'-methylmethanimidamide?
The canonical SMILES for N-[(3E)-7-amino-3,6-dimethylhepta-1,3,5-trien-2-yl]-N'-methylmethanimidamide is C=C(N/C=N/C)/C(C)=C/C=C(C)CN.
What is the InChIKey of N-[(3E)-7-amino-3,6-dimethylhepta-1,3,5-trien-2-yl]-N'-methylmethanimidamide?
The InChIKey is SRTHGWBODDNJKG-HYAZYBELSA-N. The full InChI is InChI=1S/C11H19N3/c1-9(7-12)5-6-10(2)11(3)14-8-13-4/h5-6,8H,3,7,12H2,1-2,4H3,(H,13,14)/b9-5?,10-6+.
What are the key properties of N-[(3E)-7-amino-3,6-dimethylhepta-1,3,5-trien-2-yl]-N'-methylmethanimidamide?
N-[(3E)-7-amino-3,6-dimethylhepta-1,3,5-trien-2-yl]-N'-methylmethanimidamide has a molecular weight of 193.29 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E)-7-amino-3,6-dimethylhepta-1,3,5-trien-2-yl]-N'-methylmethanimidamide is sourced from PubChem (CID 123530565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).