N'-[(2E,4Z)-hepta-2,4-dien-3-yl]-N-methyl-N-(2-methylidenebut-3-enyl)methanimidamide

C14H22N2 — CID 143929988

IUPACN'-[(2E,4Z)-hepta-2,4-dien-3-yl]-N-methyl-N-(2-methylidenebut-3-enyl)methanimidamide
SMILESC=CC(=C)CN(C)/C=N/C(/C=C\CC)=C/C
InChIInChI=1S/C14H22N2/c1-6-9-10-14(8-3)15-12-16(5)11-13(4)7-2/h7-10,12H,2,4,6,11H2,1,3,5H3/b10-9-,14-8+,15-12+
InChIKeyDTDNUJXGPVUGKB-ANPCEXQDSA-N
MW218.34 g/mol
LogP3.56
Rot. Bonds7

About N'-[(2E,4Z)-hepta-2,4-dien-3-yl]-N-methyl-N-(2-methylidenebut-3-enyl)methanimidamide

N'-[(2E,4Z)-hepta-2,4-dien-3-yl]-N-methyl-N-(2-methylidenebut-3-enyl)methanimidamide (PubChem CID 143929988) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N'-[(2E,4Z)-hepta-2,4-dien-3-yl]-N-methyl-N-(2-methylidenebut-3-enyl)methanimidamide.

Molecular Properties

Compound NameN'-[(2E,4Z)-hepta-2,4-dien-3-yl]-N-methyl-N-(2-methylidenebut-3-enyl)methanimidamide
PubChem CID143929988
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN'-[(2E,4Z)-hepta-2,4-dien-3-yl]-N-methyl-N-(2-methylidenebut-3-enyl)methanimidamide
SMILESC=CC(=C)CN(C)/C=N/C(/C=C\CC)=C/C
InChIInChI=1S/C14H22N2/c1-6-9-10-14(8-3)15-12-16(5)11-13(4)7-2/h7-10,12H,2,4,6,11H2,1,3,5H3/b10-9-,14-8+,15-12+
InChIKeyDTDNUJXGPVUGKB-ANPCEXQDSA-N
XLogP3.56
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.56
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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Related Compounds

N-ethyl-N-methyl-N'-[(2E,4E)-4-(trifluoromethyl)octa-2,4,7-trien-2-yl]methanimidamide
CID 146359505
N'-(3-fluorobuta-1,3-dien-2-yl)-N-[(3Z)-hexa-3,5-dienyl]-N-methylmethanimidamide
CID 156447090
N'-(1,5-dimethyl-2H-pyridin-3-yl)-N,N-dimethylmethanimidamide
CID 57257147
azane;5-[(E)-but-1-enyl]-3-methyl-4H-pyrimidine
CID 67633893
7,8-Dimethyl-1,3-diazabicyclo[4.2.0]octa-2,4,6-triene
CID 89950252
1,3-dimethyl-6-propan-2-yl-4H-pyrimidin-3-ium
CID 91197435
6-ethyl-1,3,4-trimethyl-4H-pyrimidin-3-ium
CID 123248580
N-hepta-3,5-dien-3-yl-N,N'-dimethylmethanimidamide
CID 123417471
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
5-Ethylidene-1-methyl-4-pent-1-en-3-ylideneimidazole
CID 123704736
ethenyl-methyl-[[methyl-[(3Z)-5-methyliminohexa-1,3-dien-2-yl]amino]methylidene]azanium
CID 123841316

Frequently Asked Questions

What is the IUPAC name of N'-[(2E,4Z)-hepta-2,4-dien-3-yl]-N-methyl-N-(2-methylidenebut-3-enyl)methanimidamide?
The IUPAC name of N'-[(2E,4Z)-hepta-2,4-dien-3-yl]-N-methyl-N-(2-methylidenebut-3-enyl)methanimidamide (CID 143929988) is N'-[(2E,4Z)-hepta-2,4-dien-3-yl]-N-methyl-N-(2-methylidenebut-3-enyl)methanimidamide.
What is the SMILES notation for N'-[(2E,4Z)-hepta-2,4-dien-3-yl]-N-methyl-N-(2-methylidenebut-3-enyl)methanimidamide?
The canonical SMILES for N'-[(2E,4Z)-hepta-2,4-dien-3-yl]-N-methyl-N-(2-methylidenebut-3-enyl)methanimidamide is C=CC(=C)CN(C)/C=N/C(/C=C\CC)=C/C.
What is the InChIKey of N'-[(2E,4Z)-hepta-2,4-dien-3-yl]-N-methyl-N-(2-methylidenebut-3-enyl)methanimidamide?
The InChIKey is DTDNUJXGPVUGKB-ANPCEXQDSA-N. The full InChI is InChI=1S/C14H22N2/c1-6-9-10-14(8-3)15-12-16(5)11-13(4)7-2/h7-10,12H,2,4,6,11H2,1,3,5H3/b10-9-,14-8+,15-12+.
What are the key properties of N'-[(2E,4Z)-hepta-2,4-dien-3-yl]-N-methyl-N-(2-methylidenebut-3-enyl)methanimidamide?
N'-[(2E,4Z)-hepta-2,4-dien-3-yl]-N-methyl-N-(2-methylidenebut-3-enyl)methanimidamide has a molecular weight of 218.34 g/mol, XLogP of 3.56, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2E,4Z)-hepta-2,4-dien-3-yl]-N-methyl-N-(2-methylidenebut-3-enyl)methanimidamide is sourced from PubChem (CID 143929988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).