N-methyl-N-[(1E,4Z,6Z)-nona-1,4,6,8-tetraenyl]methanimidamide

C11H16N2 — CID 142976657

IUPACN-methyl-N-[(1E,4Z,6Z)-nona-1,4,6,8-tetraenyl]methanimidamide
SMILES[H]/N=C/N(C)/C=C/C/C=C\C=C/C=C
InChIInChI=1S/C11H16N2/c1-3-4-5-6-7-8-9-10-13(2)11-12/h3-7,9-12H,1,8H2,2H3/b5-4-,7-6-,10-9+,12-11+
InChIKeyDKZJNCJEAXJUDU-JYLJVISZSA-N
MW176.26 g/mol
LogP2.73
Rot. Bonds6

About N-methyl-N-[(1E,4Z,6Z)-nona-1,4,6,8-tetraenyl]methanimidamide

N-methyl-N-[(1E,4Z,6Z)-nona-1,4,6,8-tetraenyl]methanimidamide (PubChem CID 142976657) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is N-methyl-N-[(1E,4Z,6Z)-nona-1,4,6,8-tetraenyl]methanimidamide.

Molecular Properties

Compound NameN-methyl-N-[(1E,4Z,6Z)-nona-1,4,6,8-tetraenyl]methanimidamide
PubChem CID142976657
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC NameN-methyl-N-[(1E,4Z,6Z)-nona-1,4,6,8-tetraenyl]methanimidamide
SMILES[H]/N=C/N(C)/C=C/C/C=C\C=C/C=C
InChIInChI=1S/C11H16N2/c1-3-4-5-6-7-8-9-10-13(2)11-12/h3-7,9-12H,1,8H2,2H3/b5-4-,7-6-,10-9+,12-11+
InChIKeyDKZJNCJEAXJUDU-JYLJVISZSA-N
XLogP2.73
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.73
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

N-[(1E,3E)-hexa-1,3-dienyl]-N'-methylmethanimidamide
CID 89224939
N-ethyl-N-octa-1,3,6-trien-2-ylmethanimidamide
CID 123701301
N-ethenyl-N-[(1Z,3Z)-penta-1,3-dienyl]methanimidamide
CID 139419329
[(2E)-2-butylidene-1-pyridinyl]methanimine
CID 174321614
N-[(1E,3Z)-1-aminohexa-1,3-dien-2-yl]-N-methylmethanimidamide
CID 143160360
N,N'-dimethyl-N-[(1E,4Z)-3-methylidenehexa-1,4-dienyl]methanimidamide
CID 145180329
N-[(2Z,4E,6Z)-7-ethylnona-2,4,6,8-tetraen-4-yl]-N-[(Z)-prop-1-enyl]methanimidamide
CID 176578307

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1E,4Z,6Z)-nona-1,4,6,8-tetraenyl]methanimidamide?
The IUPAC name of N-methyl-N-[(1E,4Z,6Z)-nona-1,4,6,8-tetraenyl]methanimidamide (CID 142976657) is N-methyl-N-[(1E,4Z,6Z)-nona-1,4,6,8-tetraenyl]methanimidamide.
What is the SMILES notation for N-methyl-N-[(1E,4Z,6Z)-nona-1,4,6,8-tetraenyl]methanimidamide?
The canonical SMILES for N-methyl-N-[(1E,4Z,6Z)-nona-1,4,6,8-tetraenyl]methanimidamide is [H]/N=C/N(C)/C=C/C/C=C\C=C/C=C.
What is the InChIKey of N-methyl-N-[(1E,4Z,6Z)-nona-1,4,6,8-tetraenyl]methanimidamide?
The InChIKey is DKZJNCJEAXJUDU-JYLJVISZSA-N. The full InChI is InChI=1S/C11H16N2/c1-3-4-5-6-7-8-9-10-13(2)11-12/h3-7,9-12H,1,8H2,2H3/b5-4-,7-6-,10-9+,12-11+.
What are the key properties of N-methyl-N-[(1E,4Z,6Z)-nona-1,4,6,8-tetraenyl]methanimidamide?
N-methyl-N-[(1E,4Z,6Z)-nona-1,4,6,8-tetraenyl]methanimidamide has a molecular weight of 176.26 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1E,4Z,6Z)-nona-1,4,6,8-tetraenyl]methanimidamide is sourced from PubChem (CID 142976657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).