N-[(5Z)-2-(5,6-dihydro-1H-indol-3-yl)-6-methyl-4-methylideneocta-1,5-dien-3-yl]aniline

C24H28N2 — CID 146429476

IUPACN-[(5Z)-2-(5,6-dihydro-1H-indol-3-yl)-6-methyl-4-methylideneocta-1,5-dien-3-yl]aniline
SMILESC=C(/C=C(/C)CC)C(Nc1ccccc1)C(=C)c1c[nH]c2c1=CCCC=2
InChIInChI=1S/C24H28N2/c1-5-17(2)15-18(3)24(26-20-11-7-6-8-12-20)19(4)22-16-25-23-14-10-9-13-21(22)23/h6-8,11-16,24-26H,3-5,9-10H2,1-2H3/b17-15-
InChIKeyDBCQLRMKWHGHJM-ICFOKQHNSA-N
MW344.50 g/mol
LogP4.78
Rot. Bonds7

About N-[(5Z)-2-(5,6-dihydro-1H-indol-3-yl)-6-methyl-4-methylideneocta-1,5-dien-3-yl]aniline

N-[(5Z)-2-(5,6-dihydro-1H-indol-3-yl)-6-methyl-4-methylideneocta-1,5-dien-3-yl]aniline (PubChem CID 146429476) has the molecular formula C24H28N2 and a molecular weight of 344.50 g/mol. Its IUPAC name is N-[(5Z)-2-(5,6-dihydro-1H-indol-3-yl)-6-methyl-4-methylideneocta-1,5-dien-3-yl]aniline.

Molecular Properties

Compound NameN-[(5Z)-2-(5,6-dihydro-1H-indol-3-yl)-6-methyl-4-methylideneocta-1,5-dien-3-yl]aniline
PubChem CID146429476
Molecular FormulaC24H28N2
Molecular Weight344.50 g/mol
Exact Mass344.23
IUPAC NameN-[(5Z)-2-(5,6-dihydro-1H-indol-3-yl)-6-methyl-4-methylideneocta-1,5-dien-3-yl]aniline
SMILESC=C(/C=C(/C)CC)C(Nc1ccccc1)C(=C)c1c[nH]c2c1=CCCC=2
InChIInChI=1S/C24H28N2/c1-5-17(2)15-18(3)24(26-20-11-7-6-8-12-20)19(4)22-16-25-23-14-10-9-13-21(22)23/h6-8,11-16,24-26H,3-5,9-10H2,1-2H3/b17-15-
InChIKeyDBCQLRMKWHGHJM-ICFOKQHNSA-N
XLogP4.78
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,4-Benzenediamine, N-(1,3-dimethylbutyl)-N'-phenyl-
CID 13101
N-isopropyl-N'-phenyl-p-phenylenediamine
CID 7573
N-Ethylaniline
CID 7670
N-Isopropylaniline
CID 13032
N,N-Diethyl-p-phenylenediamine
CID 7120
N,N'-Di-sec-butyl-p-phenylenediamine
CID 7589
N-ethyl-3-methylaniline
CID 7603
N1-Cyclohexyl-N4-phenyl-1,4-benzenediamine
CID 92093
3,5-Diethyl-1-phenyl-2-propyl-1,2-dihydropyridine
CID 118703
N-Butylaniline
CID 14310
N,N'-Diphenylethylenediamine
CID 67422
3-Anilinopropionitrile
CID 14100

Frequently Asked Questions

What is the IUPAC name of N-[(5Z)-2-(5,6-dihydro-1H-indol-3-yl)-6-methyl-4-methylideneocta-1,5-dien-3-yl]aniline?
The IUPAC name of N-[(5Z)-2-(5,6-dihydro-1H-indol-3-yl)-6-methyl-4-methylideneocta-1,5-dien-3-yl]aniline (CID 146429476) is N-[(5Z)-2-(5,6-dihydro-1H-indol-3-yl)-6-methyl-4-methylideneocta-1,5-dien-3-yl]aniline.
What is the SMILES notation for N-[(5Z)-2-(5,6-dihydro-1H-indol-3-yl)-6-methyl-4-methylideneocta-1,5-dien-3-yl]aniline?
The canonical SMILES for N-[(5Z)-2-(5,6-dihydro-1H-indol-3-yl)-6-methyl-4-methylideneocta-1,5-dien-3-yl]aniline is C=C(/C=C(/C)CC)C(Nc1ccccc1)C(=C)c1c[nH]c2c1=CCCC=2.
What is the InChIKey of N-[(5Z)-2-(5,6-dihydro-1H-indol-3-yl)-6-methyl-4-methylideneocta-1,5-dien-3-yl]aniline?
The InChIKey is DBCQLRMKWHGHJM-ICFOKQHNSA-N. The full InChI is InChI=1S/C24H28N2/c1-5-17(2)15-18(3)24(26-20-11-7-6-8-12-20)19(4)22-16-25-23-14-10-9-13-21(22)23/h6-8,11-16,24-26H,3-5,9-10H2,1-2H3/b17-15-.
What are the key properties of N-[(5Z)-2-(5,6-dihydro-1H-indol-3-yl)-6-methyl-4-methylideneocta-1,5-dien-3-yl]aniline?
N-[(5Z)-2-(5,6-dihydro-1H-indol-3-yl)-6-methyl-4-methylideneocta-1,5-dien-3-yl]aniline has a molecular weight of 344.50 g/mol, XLogP of 4.78, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5Z)-2-(5,6-dihydro-1H-indol-3-yl)-6-methyl-4-methylideneocta-1,5-dien-3-yl]aniline is sourced from PubChem (CID 146429476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).