N-[(2Z,4E,6Z)-7-ethylnona-2,4,6,8-tetraen-4-yl]-N-[(Z)-prop-1-enyl]methanimidamide

C15H22N2 — CID 176578307

IUPACN-[(2Z,4E,6Z)-7-ethylnona-2,4,6,8-tetraen-4-yl]-N-[(Z)-prop-1-enyl]methanimidamide
SMILES[H]/N=C/N(/C=C\C)C(/C=C\C)=C/C=C(\C=C)CC
InChIInChI=1S/C15H22N2/c1-5-9-15(17(13-16)12-6-2)11-10-14(7-3)8-4/h5-7,9-13,16H,3,8H2,1-2,4H3/b9-5-,12-6-,14-10+,15-11+,16-13+
InChIKeySEUMFUXDUPCTTL-DKKJVKQKSA-N
MW230.35 g/mol
LogP4.41
Rot. Bonds7

About N-[(2Z,4E,6Z)-7-ethylnona-2,4,6,8-tetraen-4-yl]-N-[(Z)-prop-1-enyl]methanimidamide

N-[(2Z,4E,6Z)-7-ethylnona-2,4,6,8-tetraen-4-yl]-N-[(Z)-prop-1-enyl]methanimidamide (PubChem CID 176578307) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N-[(2Z,4E,6Z)-7-ethylnona-2,4,6,8-tetraen-4-yl]-N-[(Z)-prop-1-enyl]methanimidamide.

Molecular Properties

Compound NameN-[(2Z,4E,6Z)-7-ethylnona-2,4,6,8-tetraen-4-yl]-N-[(Z)-prop-1-enyl]methanimidamide
PubChem CID176578307
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC NameN-[(2Z,4E,6Z)-7-ethylnona-2,4,6,8-tetraen-4-yl]-N-[(Z)-prop-1-enyl]methanimidamide
SMILES[H]/N=C/N(/C=C\C)C(/C=C\C)=C/C=C(\C=C)CC
InChIInChI=1S/C15H22N2/c1-5-9-15(17(13-16)12-6-2)11-10-14(7-3)8-4/h5-7,9-13,16H,3,8H2,1-2,4H3/b9-5-,12-6-,14-10+,15-11+,16-13+
InChIKeySEUMFUXDUPCTTL-DKKJVKQKSA-N
XLogP4.41
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.41
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-(3-ethylidene-6-methylideneocta-1,4-dien-2-yl)-N-methylethanimidamide
CID 123226625
N-ethyl-N-octa-1,3,6-trien-2-ylmethanimidamide
CID 123701301
6-[(1Z)-buta-1,3-dienyl]-5-methyl-1-[(Z)-prop-1-enyl]pyridin-2-imine
CID 132099128
(6E)-6-butylidene-1-[(Z)-prop-1-enyl]pyrimidine
CID 137445526
N-[(2E)-hepta-2,6-dien-2-yl]-N-methylmethanimidamide
CID 138570754
1-[(2E)-2-butylidene-1-pyridinyl]-N-methylmethanimine
CID 139397212
N-(3-aminoprop-1-en-2-yl)-N-[(2E,4Z)-2-ethenyl-4-methylhepta-2,4,6-trienyl]methanimidamide;ethane
CID 141995687
[5-(2-Methylbutan-2-yl)-2-methylidene-1-pyridinyl]methanimine
CID 142376774
Ethane;(4-methyl-2-methylidene-1-pyridinyl)methanimine
CID 142392708
ethane;N-methyl-N-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]methanimidamide
CID 142392847
N-methyl-N-[(1E,4Z,6Z)-nona-1,4,6,8-tetraenyl]methanimidamide
CID 142976657
1-[(E)-but-2-en-2-yl]-5-methylpyridin-2-imine;ethane
CID 143424286

Frequently Asked Questions

What is the IUPAC name of N-[(2Z,4E,6Z)-7-ethylnona-2,4,6,8-tetraen-4-yl]-N-[(Z)-prop-1-enyl]methanimidamide?
The IUPAC name of N-[(2Z,4E,6Z)-7-ethylnona-2,4,6,8-tetraen-4-yl]-N-[(Z)-prop-1-enyl]methanimidamide (CID 176578307) is N-[(2Z,4E,6Z)-7-ethylnona-2,4,6,8-tetraen-4-yl]-N-[(Z)-prop-1-enyl]methanimidamide.
What is the SMILES notation for N-[(2Z,4E,6Z)-7-ethylnona-2,4,6,8-tetraen-4-yl]-N-[(Z)-prop-1-enyl]methanimidamide?
The canonical SMILES for N-[(2Z,4E,6Z)-7-ethylnona-2,4,6,8-tetraen-4-yl]-N-[(Z)-prop-1-enyl]methanimidamide is [H]/N=C/N(/C=C\C)C(/C=C\C)=C/C=C(\C=C)CC.
What is the InChIKey of N-[(2Z,4E,6Z)-7-ethylnona-2,4,6,8-tetraen-4-yl]-N-[(Z)-prop-1-enyl]methanimidamide?
The InChIKey is SEUMFUXDUPCTTL-DKKJVKQKSA-N. The full InChI is InChI=1S/C15H22N2/c1-5-9-15(17(13-16)12-6-2)11-10-14(7-3)8-4/h5-7,9-13,16H,3,8H2,1-2,4H3/b9-5-,12-6-,14-10+,15-11+,16-13+.
What are the key properties of N-[(2Z,4E,6Z)-7-ethylnona-2,4,6,8-tetraen-4-yl]-N-[(Z)-prop-1-enyl]methanimidamide?
N-[(2Z,4E,6Z)-7-ethylnona-2,4,6,8-tetraen-4-yl]-N-[(Z)-prop-1-enyl]methanimidamide has a molecular weight of 230.35 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,4E,6Z)-7-ethylnona-2,4,6,8-tetraen-4-yl]-N-[(Z)-prop-1-enyl]methanimidamide is sourced from PubChem (CID 176578307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).