1-butyl-3-methyl-5-prop-2-enylbenzene;2-(methylideneamino)-N-[(4-methylphenyl)methyl]ethanamine

C25H36N2 — CID 153375174

IUPAC1-butyl-3-methyl-5-prop-2-enylbenzene;2-(methylideneamino)-N-[(4-methylphenyl)methyl]ethanamine
SMILESC=CCc1cc(C)cc(CCCC)c1.C=NCCNCc1ccc(C)cc1
InChIInChI=1S/C14H20.C11H16N2/c1-4-6-8-14-10-12(3)9-13(11-14)7-5-2;1-10-3-5-11(6-4-10)9-13-8-7-12-2/h5,9-11H,2,4,6-8H2,1,3H3;3-6,13H,2,7-9H2,1H3
InChIKeyDFPRDMSFLHDDNE-UHFFFAOYSA-N
MW364.58 g/mol
LogP5.85
Rot. Bonds10

About 1-butyl-3-methyl-5-prop-2-enylbenzene;2-(methylideneamino)-N-[(4-methylphenyl)methyl]ethanamine

1-butyl-3-methyl-5-prop-2-enylbenzene;2-(methylideneamino)-N-[(4-methylphenyl)methyl]ethanamine (PubChem CID 153375174) has the molecular formula C25H36N2 and a molecular weight of 364.58 g/mol. Its IUPAC name is 1-butyl-3-methyl-5-prop-2-enylbenzene;2-(methylideneamino)-N-[(4-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-butyl-3-methyl-5-prop-2-enylbenzene;2-(methylideneamino)-N-[(4-methylphenyl)methyl]ethanamine
PubChem CID153375174
Molecular FormulaC25H36N2
Molecular Weight364.58 g/mol
Exact Mass364.29
IUPAC Name1-butyl-3-methyl-5-prop-2-enylbenzene;2-(methylideneamino)-N-[(4-methylphenyl)methyl]ethanamine
SMILESC=CCc1cc(C)cc(CCCC)c1.C=NCCNCc1ccc(C)cc1
InChIInChI=1S/C14H20.C11H16N2/c1-4-6-8-14-10-12(3)9-13(11-14)7-5-2;1-10-3-5-11(6-4-10)9-13-8-7-12-2/h5,9-11H,2,4,6-8H2,1,3H3;3-6,13H,2,7-9H2,1H3
InChIKeyDFPRDMSFLHDDNE-UHFFFAOYSA-N
XLogP5.85
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.58
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(methylideneamino)-N-[(4-methylphenyl)methyl]ethanamine
CID 153375175
1-butyl-3-prop-2-enylbenzene
CID 140596641
N-[(4-methylphenyl)methyl]octan-1-amine;hydrochloride
CID 17331169
1-pentyl-4-prop-2-enylbenzene
CID 24721930
1-butyl-4-methylbenzene;N-methylmethanamine
CID 143818952
methane;1-methyl-4-prop-2-enylbenzene
CID 165001357
1-butyl-4-methylbenzene;formic acid
CID 177221373
1-hexyl-4-prop-2-enylbenzene
CID 91099375
5-(4-butylphenyl)-1,2,3-trimethylbenzene;1,2,3-trimethyl-5-(4-methylphenyl)benzene
CID 123525703
2-[[2-(methylideneamino)ethylamino]methyl]-4-(4-methylphenyl)butanal
CID 174194812
1-methyl-3,5-di(pentadecyl)benzene
CID 58289216
1-(4-methylphenyl)-N-[[4-(4-methylphenyl)phenyl]methyl]methanamine
CID 171059943

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-methyl-5-prop-2-enylbenzene;2-(methylideneamino)-N-[(4-methylphenyl)methyl]ethanamine?
The IUPAC name of 1-butyl-3-methyl-5-prop-2-enylbenzene;2-(methylideneamino)-N-[(4-methylphenyl)methyl]ethanamine (CID 153375174) is 1-butyl-3-methyl-5-prop-2-enylbenzene;2-(methylideneamino)-N-[(4-methylphenyl)methyl]ethanamine.
What is the SMILES notation for 1-butyl-3-methyl-5-prop-2-enylbenzene;2-(methylideneamino)-N-[(4-methylphenyl)methyl]ethanamine?
The canonical SMILES for 1-butyl-3-methyl-5-prop-2-enylbenzene;2-(methylideneamino)-N-[(4-methylphenyl)methyl]ethanamine is C=CCc1cc(C)cc(CCCC)c1.C=NCCNCc1ccc(C)cc1.
What is the InChIKey of 1-butyl-3-methyl-5-prop-2-enylbenzene;2-(methylideneamino)-N-[(4-methylphenyl)methyl]ethanamine?
The InChIKey is DFPRDMSFLHDDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20.C11H16N2/c1-4-6-8-14-10-12(3)9-13(11-14)7-5-2;1-10-3-5-11(6-4-10)9-13-8-7-12-2/h5,9-11H,2,4,6-8H2,1,3H3;3-6,13H,2,7-9H2,1H3.
What are the key properties of 1-butyl-3-methyl-5-prop-2-enylbenzene;2-(methylideneamino)-N-[(4-methylphenyl)methyl]ethanamine?
1-butyl-3-methyl-5-prop-2-enylbenzene;2-(methylideneamino)-N-[(4-methylphenyl)methyl]ethanamine has a molecular weight of 364.58 g/mol, XLogP of 5.85, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-methyl-5-prop-2-enylbenzene;2-(methylideneamino)-N-[(4-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 153375174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).