N-(7,7-dimethyloct-1-en-2-yl)-4-prop-1-en-2-ylaniline

C19H29N — CID 146304151

IUPACN-(7,7-dimethyloct-1-en-2-yl)-4-prop-1-en-2-ylaniline
SMILESC=C(CCCCC(C)(C)C)Nc1ccc(C(=C)C)cc1
InChIInChI=1S/C19H29N/c1-15(2)17-10-12-18(13-11-17)20-16(3)9-7-8-14-19(4,5)6/h10-13,20H,1,3,7-9,14H2,2,4-6H3
InChIKeyWZVAHZQNGPJDIO-UHFFFAOYSA-N
MW271.45 g/mol
LogP6.25
Rot. Bonds7

About N-(7,7-dimethyloct-1-en-2-yl)-4-prop-1-en-2-ylaniline

N-(7,7-dimethyloct-1-en-2-yl)-4-prop-1-en-2-ylaniline (PubChem CID 146304151) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is N-(7,7-dimethyloct-1-en-2-yl)-4-prop-1-en-2-ylaniline.

Molecular Properties

Compound NameN-(7,7-dimethyloct-1-en-2-yl)-4-prop-1-en-2-ylaniline
PubChem CID146304151
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC NameN-(7,7-dimethyloct-1-en-2-yl)-4-prop-1-en-2-ylaniline
SMILESC=C(CCCCC(C)(C)C)Nc1ccc(C(=C)C)cc1
InChIInChI=1S/C19H29N/c1-15(2)17-10-12-18(13-11-17)20-16(3)9-7-8-14-19(4,5)6/h10-13,20H,1,3,7-9,14H2,2,4-6H3
InChIKeyWZVAHZQNGPJDIO-UHFFFAOYSA-N
XLogP6.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.45
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[4-(hept-1-en-2-ylamino)phenyl]borinic acid
CID 144886642
7,7-dimethyl-N-phenyloctanamide
CID 68837139
6,6-dimethyl-N-[1-(4-methylphenyl)ethenyl]heptan-2-amine
CID 143117766
1-(4-acetylphenyl)-5,5-dimethylhexan-1-one
CID 59887123
1-N,4-N-bis(prop-1-en-2-yl)benzene-1,4-diamine
CID 134219544
ethane;4-ethylpiperidine;3-methylcyclopropene;N-prop-1-en-2-yl-4-[3-(4-prop-1-en-2-ylanilino)but-3-enyl]aniline;1,2-xylene
CID 142232855
1-prop-1-en-2-yl-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
CID 90871361
5,5-dimethylhexyl N-(4-sulfanylphenyl)carbamate
CID 174196427
1-(3-methylbut-3-enyl)-4-prop-1-en-2-ylbenzene
CID 143231860
5-[4-(3-methylidene-5-oxohexyl)anilino]hex-5-enal
CID 142954803
4-(3,3-dimethylbut-1-en-2-ylamino)phenol
CID 130441332
N-(4-acetylphenyl)-2,2,4,4-tetramethylpentanamide
CID 143619432

Frequently Asked Questions

What is the IUPAC name of N-(7,7-dimethyloct-1-en-2-yl)-4-prop-1-en-2-ylaniline?
The IUPAC name of N-(7,7-dimethyloct-1-en-2-yl)-4-prop-1-en-2-ylaniline (CID 146304151) is N-(7,7-dimethyloct-1-en-2-yl)-4-prop-1-en-2-ylaniline.
What is the SMILES notation for N-(7,7-dimethyloct-1-en-2-yl)-4-prop-1-en-2-ylaniline?
The canonical SMILES for N-(7,7-dimethyloct-1-en-2-yl)-4-prop-1-en-2-ylaniline is C=C(CCCCC(C)(C)C)Nc1ccc(C(=C)C)cc1.
What is the InChIKey of N-(7,7-dimethyloct-1-en-2-yl)-4-prop-1-en-2-ylaniline?
The InChIKey is WZVAHZQNGPJDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N/c1-15(2)17-10-12-18(13-11-17)20-16(3)9-7-8-14-19(4,5)6/h10-13,20H,1,3,7-9,14H2,2,4-6H3.
What are the key properties of N-(7,7-dimethyloct-1-en-2-yl)-4-prop-1-en-2-ylaniline?
N-(7,7-dimethyloct-1-en-2-yl)-4-prop-1-en-2-ylaniline has a molecular weight of 271.45 g/mol, XLogP of 6.25, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,7-dimethyloct-1-en-2-yl)-4-prop-1-en-2-ylaniline is sourced from PubChem (CID 146304151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).