N-[(3E,5Z)-2,7-dimethylnona-1,3,5-trien-4-yl]aniline

C17H23N — CID 145266659

IUPACN-[(3E,5Z)-2,7-dimethylnona-1,3,5-trien-4-yl]aniline
SMILESC=C(C)/C=C(\C=C/C(C)CC)Nc1ccccc1
InChIInChI=1S/C17H23N/c1-5-15(4)11-12-17(13-14(2)3)18-16-9-7-6-8-10-16/h6-13,15,18H,2,5H2,1,3-4H3/b12-11-,17-13+
InChIKeyQZBJZZSIVQMWDM-WCVKEAJASA-N
MW241.38 g/mol
LogP5.16
Rot. Bonds6

About N-[(3E,5Z)-2,7-dimethylnona-1,3,5-trien-4-yl]aniline

N-[(3E,5Z)-2,7-dimethylnona-1,3,5-trien-4-yl]aniline (PubChem CID 145266659) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is N-[(3E,5Z)-2,7-dimethylnona-1,3,5-trien-4-yl]aniline.

Molecular Properties

Compound NameN-[(3E,5Z)-2,7-dimethylnona-1,3,5-trien-4-yl]aniline
PubChem CID145266659
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC NameN-[(3E,5Z)-2,7-dimethylnona-1,3,5-trien-4-yl]aniline
SMILESC=C(C)/C=C(\C=C/C(C)CC)Nc1ccccc1
InChIInChI=1S/C17H23N/c1-5-15(4)11-12-17(13-14(2)3)18-16-9-7-6-8-10-16/h6-13,15,18H,2,5H2,1,3-4H3/b12-11-,17-13+
InChIKeyQZBJZZSIVQMWDM-WCVKEAJASA-N
XLogP5.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500241.38
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(1Z,3E)-2-anilinohexa-1,3-dienyl]-triphenylphosphanium
CID 101071939
N-(3-methylbut-1-en-2-yl)aniline
CID 135251792
N-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-phenylaniline
CID 142358988
N-[(3E,5Z,8E)-7-methylidene-8-[(Z)-prop-1-enyl]dodeca-3,5,8,11-tetraen-4-yl]aniline
CID 143613407
(E,4R,6R)-2,4,6-trimethyl-N-phenyloct-2-enamide
CID 139373069
N-[(3E)-4-phenylpenta-1,3-dien-2-yl]aniline
CID 167145828
4-methyl-N-[(2E,4Z)-6-phenylhepta-2,4-dien-3-yl]aniline
CID 145025138
(Z)-3-hydroxy-N-phenylbut-2-enethioamide
CID 137168826
4-methylhex-2-en-2-ylbenzene
CID 76543432
ethane;N-[(3E)-penta-1,3-dien-3-yl]aniline
CID 143322906
3-ethylidene-2,6-dimethylocta-1,4-diene
CID 90690181
1-N,1-N-diethyl-2-N-phenylprop-2-ene-1,2-diamine
CID 142010707

Frequently Asked Questions

What is the IUPAC name of N-[(3E,5Z)-2,7-dimethylnona-1,3,5-trien-4-yl]aniline?
The IUPAC name of N-[(3E,5Z)-2,7-dimethylnona-1,3,5-trien-4-yl]aniline (CID 145266659) is N-[(3E,5Z)-2,7-dimethylnona-1,3,5-trien-4-yl]aniline.
What is the SMILES notation for N-[(3E,5Z)-2,7-dimethylnona-1,3,5-trien-4-yl]aniline?
The canonical SMILES for N-[(3E,5Z)-2,7-dimethylnona-1,3,5-trien-4-yl]aniline is C=C(C)/C=C(\C=C/C(C)CC)Nc1ccccc1.
What is the InChIKey of N-[(3E,5Z)-2,7-dimethylnona-1,3,5-trien-4-yl]aniline?
The InChIKey is QZBJZZSIVQMWDM-WCVKEAJASA-N. The full InChI is InChI=1S/C17H23N/c1-5-15(4)11-12-17(13-14(2)3)18-16-9-7-6-8-10-16/h6-13,15,18H,2,5H2,1,3-4H3/b12-11-,17-13+.
What are the key properties of N-[(3E,5Z)-2,7-dimethylnona-1,3,5-trien-4-yl]aniline?
N-[(3E,5Z)-2,7-dimethylnona-1,3,5-trien-4-yl]aniline has a molecular weight of 241.38 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E,5Z)-2,7-dimethylnona-1,3,5-trien-4-yl]aniline is sourced from PubChem (CID 145266659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).