N'-methyl-N-[(3Z)-nona-1,3,6,8-tetraen-2-yl]ethanimidamide

C12H18N2 — CID 143658325

IUPACN'-methyl-N-[(3Z)-nona-1,3,6,8-tetraen-2-yl]ethanimidamide
SMILESC=CC=CC/C=C\C(=C)N/C(C)=N/C
InChIInChI=1S/C12H18N2/c1-5-6-7-8-9-10-11(2)14-12(3)13-4/h5-7,9-10H,1-2,8H2,3-4H3,(H,13,14)/b7-6?,10-9-
InChIKeyXTAJPMLWEJZFPW-CZTAHCJSSA-N
MW190.29 g/mol
LogP2.83
Rot. Bonds5

About N'-methyl-N-[(3Z)-nona-1,3,6,8-tetraen-2-yl]ethanimidamide

N'-methyl-N-[(3Z)-nona-1,3,6,8-tetraen-2-yl]ethanimidamide (PubChem CID 143658325) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is N'-methyl-N-[(3Z)-nona-1,3,6,8-tetraen-2-yl]ethanimidamide.

Molecular Properties

Compound NameN'-methyl-N-[(3Z)-nona-1,3,6,8-tetraen-2-yl]ethanimidamide
PubChem CID143658325
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC NameN'-methyl-N-[(3Z)-nona-1,3,6,8-tetraen-2-yl]ethanimidamide
SMILESC=CC=CC/C=C\C(=C)N/C(C)=N/C
InChIInChI=1S/C12H18N2/c1-5-6-7-8-9-10-11(2)14-12(3)13-4/h5-7,9-10H,1-2,8H2,3-4H3,(H,13,14)/b7-6?,10-9-
InChIKeyXTAJPMLWEJZFPW-CZTAHCJSSA-N
XLogP2.83
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.83
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

(3E,6E,9E,12E,15E)-octadeca-1,3,6,9,12,15-hexaene
CID 102331083
trideca-5,7,10,12-tetraen-2-one
CID 175909143
(3Z,6Z)-7-methylnona-1,3,6-triene
CID 143723306
ethane;methane;(3Z,6Z)-octa-1,3,6-triene
CID 144530940
(3Z)-7-methyl-5-methylideneocta-1,3,7-triene
CID 142221683
(6E,9E,12E)-pentadeca-6,9,12,14-tetraen-2-one
CID 22957036
(3E,6E,10E)-dodeca-1,3,6,10-tetraene
CID 22236753
(3Z,5Z)-2-methylnona-1,3,5,8-tetraene
CID 144596669
N'-buta-1,3-dien-2-yl-N-[(3Z)-penta-1,3-dien-2-yl]ethanimidamide;N,N-dimethylpropan-1-amine
CID 159102531
ethane;(3Z)-N-methyl-2-methyliminohexa-3,5-dien-1-amine
CID 142087922
N-penta-1,3-dien-2-yl-N'-phenylethanimidamide
CID 123975051
N'-methyl-N-[1-[1-(prop-1-en-2-ylamino)ethenylsulfanyl]ethenyl]ethanimidamide
CID 146504934

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[(3Z)-nona-1,3,6,8-tetraen-2-yl]ethanimidamide?
The IUPAC name of N'-methyl-N-[(3Z)-nona-1,3,6,8-tetraen-2-yl]ethanimidamide (CID 143658325) is N'-methyl-N-[(3Z)-nona-1,3,6,8-tetraen-2-yl]ethanimidamide.
What is the SMILES notation for N'-methyl-N-[(3Z)-nona-1,3,6,8-tetraen-2-yl]ethanimidamide?
The canonical SMILES for N'-methyl-N-[(3Z)-nona-1,3,6,8-tetraen-2-yl]ethanimidamide is C=CC=CC/C=C\C(=C)N/C(C)=N/C.
What is the InChIKey of N'-methyl-N-[(3Z)-nona-1,3,6,8-tetraen-2-yl]ethanimidamide?
The InChIKey is XTAJPMLWEJZFPW-CZTAHCJSSA-N. The full InChI is InChI=1S/C12H18N2/c1-5-6-7-8-9-10-11(2)14-12(3)13-4/h5-7,9-10H,1-2,8H2,3-4H3,(H,13,14)/b7-6?,10-9-.
What are the key properties of N'-methyl-N-[(3Z)-nona-1,3,6,8-tetraen-2-yl]ethanimidamide?
N'-methyl-N-[(3Z)-nona-1,3,6,8-tetraen-2-yl]ethanimidamide has a molecular weight of 190.29 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[(3Z)-nona-1,3,6,8-tetraen-2-yl]ethanimidamide is sourced from PubChem (CID 143658325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).