N-[(4Z,6Z)-4-ethyl-6,8-dimethyl-7-[(methylideneamino)methyl]nona-1,4,6-trien-2-yl]ethanimine

C17H28N2 — CID 142428648

IUPACN-[(4Z,6Z)-4-ethyl-6,8-dimethyl-7-[(methylideneamino)methyl]nona-1,4,6-trien-2-yl]ethanimine
SMILESC=NC/C(=C(C)\C=C(\CC)CC(=C)/N=C/C)C(C)C
InChIInChI=1S/C17H28N2/c1-8-16(11-15(6)19-9-2)10-14(5)17(12-18-7)13(3)4/h9-10,13H,6-8,11-12H2,1-5H3/b16-10-,17-14+,19-9+
InChIKeyPLUPTHMTKJYXSC-PGWXBAKCSA-N
MW260.42 g/mol
LogP4.99
Rot. Bonds8

About N-[(4Z,6Z)-4-ethyl-6,8-dimethyl-7-[(methylideneamino)methyl]nona-1,4,6-trien-2-yl]ethanimine

N-[(4Z,6Z)-4-ethyl-6,8-dimethyl-7-[(methylideneamino)methyl]nona-1,4,6-trien-2-yl]ethanimine (PubChem CID 142428648) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is N-[(4Z,6Z)-4-ethyl-6,8-dimethyl-7-[(methylideneamino)methyl]nona-1,4,6-trien-2-yl]ethanimine.

Molecular Properties

Compound NameN-[(4Z,6Z)-4-ethyl-6,8-dimethyl-7-[(methylideneamino)methyl]nona-1,4,6-trien-2-yl]ethanimine
PubChem CID142428648
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC NameN-[(4Z,6Z)-4-ethyl-6,8-dimethyl-7-[(methylideneamino)methyl]nona-1,4,6-trien-2-yl]ethanimine
SMILESC=NC/C(=C(C)\C=C(\CC)CC(=C)/N=C/C)C(C)C
InChIInChI=1S/C17H28N2/c1-8-16(11-15(6)19-9-2)10-14(5)17(12-18-7)13(3)4/h9-10,13H,6-8,11-12H2,1-5H3/b16-10-,17-14+,19-9+
InChIKeyPLUPTHMTKJYXSC-PGWXBAKCSA-N
XLogP4.99
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-[(4Z,6Z)-4-ethyl-6,8-dimethyl-7-[(methylideneamino)methyl]nona-1,4,6-trien-2-yl]ethanimine with MolForge

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Related Compounds

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CID 90980602
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CID 91311127
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CID 91324852
N-(4-methylidenehex-2-en-3-yl)ethanimine
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Frequently Asked Questions

What is the IUPAC name of N-[(4Z,6Z)-4-ethyl-6,8-dimethyl-7-[(methylideneamino)methyl]nona-1,4,6-trien-2-yl]ethanimine?
The IUPAC name of N-[(4Z,6Z)-4-ethyl-6,8-dimethyl-7-[(methylideneamino)methyl]nona-1,4,6-trien-2-yl]ethanimine (CID 142428648) is N-[(4Z,6Z)-4-ethyl-6,8-dimethyl-7-[(methylideneamino)methyl]nona-1,4,6-trien-2-yl]ethanimine.
What is the SMILES notation for N-[(4Z,6Z)-4-ethyl-6,8-dimethyl-7-[(methylideneamino)methyl]nona-1,4,6-trien-2-yl]ethanimine?
The canonical SMILES for N-[(4Z,6Z)-4-ethyl-6,8-dimethyl-7-[(methylideneamino)methyl]nona-1,4,6-trien-2-yl]ethanimine is C=NC/C(=C(C)\C=C(\CC)CC(=C)/N=C/C)C(C)C.
What is the InChIKey of N-[(4Z,6Z)-4-ethyl-6,8-dimethyl-7-[(methylideneamino)methyl]nona-1,4,6-trien-2-yl]ethanimine?
The InChIKey is PLUPTHMTKJYXSC-PGWXBAKCSA-N. The full InChI is InChI=1S/C17H28N2/c1-8-16(11-15(6)19-9-2)10-14(5)17(12-18-7)13(3)4/h9-10,13H,6-8,11-12H2,1-5H3/b16-10-,17-14+,19-9+.
What are the key properties of N-[(4Z,6Z)-4-ethyl-6,8-dimethyl-7-[(methylideneamino)methyl]nona-1,4,6-trien-2-yl]ethanimine?
N-[(4Z,6Z)-4-ethyl-6,8-dimethyl-7-[(methylideneamino)methyl]nona-1,4,6-trien-2-yl]ethanimine has a molecular weight of 260.42 g/mol, XLogP of 4.99, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4Z,6Z)-4-ethyl-6,8-dimethyl-7-[(methylideneamino)methyl]nona-1,4,6-trien-2-yl]ethanimine is sourced from PubChem (CID 142428648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).